Consensus flow list

Identity

Type
Neutral molecule
CAS
2280-49-1
EC
218-915-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for N-phenyl-n-[(trichloromethyl)sulfanyl]benzenesulfonamide

Alternative labels

12

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string CAXJFBOSFXRPOJ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C13H10Cl3NO2S2/c14-13(15,16)20-17(11-7-3-1-4-8-11)21(18,19)12-9-5-2-6-10-12/h1-10H
IUPAC name chemrof:IUPAC_name N-Phenyl-N-(trichloromethylsulfenyl)benzenesulfonamide
Molecular formula chemrof:molecular_formula C13H10Cl3NO2S2
Molecular mass chemrof:molecular_mass 382.721
Monoisotopic mass chemrof:monoisotopic_mass 380.921854
SMILES string chemrof:smiles_string O=S(=O)(c1ccccc1)N(SC(Cl)(Cl)Cl)c1ccccc1

Known URLs

7

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource URL Recorded by
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=2280-49-1 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.017.196 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID4062303 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/5F5KP6YG2K enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J76.371C enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/75290 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q72499123 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
26277133-2cd2-4910-8455-49b00f61a9f1 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
ac7a76db-f95f-429e-891d-811598f939af Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
dd799a6a-4e5d-47eb-b435-917f61b12109 Environmental → Air → Indoor EF 3.1 kg 4
c1691fa5-ca94-4f03-8206-220aa27b06d6 Environmental → Air → Long-term EF 3.1 kg 0
27286aa7-cacb-45b0-98ab-19705fe435ea Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
216376fa-6664-4707-b6a8-a8d06555cc67 Environmental → Air → Unknown EF 3.1 kg 4
15caafe7-3852-4a37-ad57-77d340d521db Environmental → Ground → Agricultural EF 3.1 kg 4
cad944b8-e373-466e-8dc8-4e7016c18614 Environmental → Ground → Non-agricultural EF 3.1 kg 4
a63d8142-3d22-4f55-b68b-8c3654fd5daa Environmental → Ground → Unknown EF 3.1 kg 4
c0ae755b-4ec1-4dd5-ba9d-ab79069f2e2c Environmental → Water → Long-term EF 3.1 kg 0
3ffda4c2-0f9a-41c7-b1f8-61aa4be2a5a0 Environmental → Water → Ocean EF 3.1 kg 4
c16785d5-5850-4956-936f-d7ebc73e813c Environmental → Water → Surface water EF 3.1 kg 4
e7b8c360-58ca-4163-8d22-3525ac51cad1 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-f3b406b69992a1c5",
  "prefLabel": [
    {
      "@value": "N-phenyl-n-[(trichloromethyl)sulfanyl]benzenesulfonamide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "Altermix EC 80GE",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:2280-49-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=2280-49-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzenesulfonamide, N-phenyl-N-[(trichloromethyl)thio]-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:2280-49-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=2280-49-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzenesulfonanilide, N-[(trichloromethyl)thio]-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:2280-49-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=2280-49-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "EC 80GE",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:2280-49-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=2280-49-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "N-[(Trichloromethyl)thio]-N-phenylbenzenesulfonamide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:2280-49-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=2280-49-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "N-Phenyl-N-(trichloromethylsulfenyl)benzenesulfonamide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:2280-49-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=2280-49-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "N-Phenyl-N-(trichloromethylthio)benzenesulfonamide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:2280-49-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=2280-49-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "N-Phenyl-N-[(trichloromethyl)thio]benzenesulfonamide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:2280-49-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=2280-49-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Vulcalent E",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:2280-49-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=2280-49-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Vulcalent EC",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:2280-49-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=2280-49-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Vulkalent E",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:2280-49-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=2280-49-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Vulkalent E/C",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:2280-49-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=2280-49-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C13H10Cl3NO2S2"
      ],
      "attested_by": {
        "C13H10Cl3NO2S2": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:75290"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "O=S(=O)(c1ccccc1)N(SC(Cl)(Cl)Cl)c1ccccc1"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "CAXJFBOSFXRPOJ-UHFFFAOYSA-N"
      ],
      "attested_by": {
        "CAXJFBOSFXRPOJ-UHFFFAOYSA-N": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "InChIKey",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:75290"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "O=S(=O)(c1ccccc1)N(SC(Cl)(Cl)Cl)c1ccccc1"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "O=S(=O)(c1ccccc1)N(SC(Cl)(Cl)Cl)c1ccccc1"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "N-Phenyl-N-(trichloromethylsulfenyl)benzenesulfonamide"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "O=S(=O)(c1ccccc1)N(SC(Cl)(Cl)Cl)c1ccccc1"
          ]
        }
      ],
      "attested_by": {
        "O=S(=O)(c1ccccc1)N(SC(Cl)(Cl)Cl)c1ccccc1": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C13H10Cl3NO2S2/c14-13(15,16)20-17(11-7-3-1-4-8-11)21(18,19)12-9-5-2-6-10-12/h1-10H"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "N-Phenyl-N-(trichloromethylsulfenyl)benzenesulfonamide"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "O=S(=O)(c1ccccc1)N(SC(Cl)(Cl)Cl)c1ccccc1"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C13H10Cl3NO2S2/c14-13(15,16)20-17(11-7-3-1-4-8-11)21(18,19)12-9-5-2-6-10-12/h1-10H": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "N-Phenyl-N-(trichloromethylsulfenyl)benzenesulfonamide"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "N-Phenyl-N-(trichloromethylsulfenyl)benzenesulfonamide"
        ]
      },
      "attested_by": {
        "N-Phenyl-N-(trichloromethylsulfenyl)benzenesulfonamide": [
          "opsin_iupac"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        382.721
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C1=CC=C(C=C1)N(SC(Cl)(Cl)Cl)S(=O)(=O)C2=CC=CC=C2"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "O=S(=O)(c1ccccc1)N(SC(Cl)(Cl)Cl)c1ccccc1"
          ]
        }
      ],
      "attested_by": {
        "382.721": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
      "@id": "https://w3id.org/chemrof/monoisotopic_mass",
      "rdfs:label": "Monoisotopic mass",
      "@value": [
        380.921854
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C1=CC=C(C=C1)N(SC(Cl)(Cl)Cl)S(=O)(=O)C2=CC=CC=C2"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "O=S(=O)(c1ccccc1)N(SC(Cl)(Cl)Cl)c1ccccc1"
          ]
        }
      ],
      "attested_by": {
        "380.921854": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J76.371C",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:75290;CAS:2280-49-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[2280-49-1]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.017.196",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:75290;CAS:2280-49-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[2280-49-1]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=2280-49-1",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "2280-49-1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID4062303",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:75290;CAS:2280-49-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[2280-49-1]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/5F5KP6YG2K",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:75290;CAS:2280-49-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[2280-49-1]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/75290",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:75290;CAS:2280-49-1"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[2280-49-1]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q72499123",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:75290;CAS:2280-49-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[2280-49-1]"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "15caafe7-3852-4a37-ad57-77d340d521db",
    "seed_source": "EF 3.1",
    "semantic_typing": {
      "rule": "neutral_molecule",
      "reason": "",
      "types": [
        "https://w3id.org/chemrof/NeutralMolecule"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "semantic_typing.classify",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
      }
    }
  },
  "classifications": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "2280-49-1"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=2280-49-1"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=2280-49-1"
        }
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "218-915-0"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=218-915-0"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

Keyboard

?
Show or hide this map
Esc
Close

More as the sections are built.