Consensus flow list

Identity

Type
Neutral molecule
CAS
121-60-8
EC
204-485-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 4-acetamidobenzenesulfonyl Chloride

Alternative labels

21

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string GRDXCFKBQWDAJH-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C8H8ClNO3S/c1-6(11)10-7-2-4-8(5-3-7)14(9,12)13/h2-5H,1H3,(H,10,11)
IUPAC name chemrof:IUPAC_name 4-acetamidobenzenesulfonyl Chloride
Molecular formula chemrof:molecular_formula C8H8ClNO3S
Molecular mass chemrof:molecular_mass 233.676
Monoisotopic mass chemrof:monoisotopic_mass 232.991342
SMILES string chemrof:smiles_string CC(=O)Nc1ccc(S(=O)(=O)Cl)cc1

Known URLs

13

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=121-60-8 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.004.078 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID8026981 enrich_references.pubchem_identifier_url
drugbank.ca https://www.drugbank.ca/drugs/DB12337 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=127860 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3185390 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/LIX4M9AIVM enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J5.341D enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=153343 enrich_references.pubchem_identifier_url
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL3185390 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/8481 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=020191 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q26841247 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
d67faa9f-ef02-430c-b1e5-af4fb52d9244 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
ac9ac4f2-5260-4147-bc5e-02762be14f2f Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
53a13384-5dab-4bec-a045-0ef19d2fdf17 Environmental → Air → Indoor EF 3.1 kg 4
774ce922-f224-4e08-9658-73f9d8845ab7 Environmental → Air → Long-term EF 3.1 kg 0
5e7a4082-8686-462e-ac33-56050ed9eded Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
1fa06bbc-1b77-445d-be74-40c94b653ea6 Environmental → Air → Unknown EF 3.1 kg 4
febaf2a1-fa17-4947-93d9-aee88ff4740f Environmental → Ground → Agricultural EF 3.1 kg 4
f894d87b-42f0-4cee-9edc-9b55ffa7c08c Environmental → Ground → Non-agricultural EF 3.1 kg 4
a28efd24-975a-42c0-b471-f67db72f35ea Environmental → Ground → Unknown EF 3.1 kg 4
7934eceb-2490-42ce-9350-4dd233882d49 Environmental → Water → Long-term EF 3.1 kg 0
96341129-71f6-4a70-bd1b-3a8f7f439d06 Environmental → Water → Ocean EF 3.1 kg 4
68cab938-7212-402a-999d-29ae7f5b7db7 Environmental → Water → Surface water EF 3.1 kg 4
a85e90cd-d41b-49c7-a6c2-ca427dc65ddc 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-5dbd5fb9bbd39dee",
  "prefLabel": [
    {
      "@value": "4-acetamidobenzenesulfonyl Chloride",
      "@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": "4-(Acetylamino)benzenesulfonyl chloride",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:121-60-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=121-60-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-(Acetylamino)phenylsulfonyl chloride",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:121-60-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=121-60-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-Acetamidobenzene-1-sulfonyl chloride",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:121-60-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=121-60-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-Acetamidophenylsulfonyl chloride",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:121-60-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=121-60-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-Chlorosulfonylacetanilide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=121-60-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4′-(Chlorosulfonyl)acetanilide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=121-60-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Acetanilide-p-sulfonyl chloride",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=121-60-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "ASC",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=121-60-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "ASC (acetylsulfanilyl chloride)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=121-60-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzenesulfonyl chloride, 4-(acetylamino)-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=121-60-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Dagenan chloride",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=121-60-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "N-(4-Chlorosulfonylphenyl)acetamide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "https://commonchemistry.cas.org/detail?cas_rn=121-60-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "N-Acetyl-p-aminobenzenesulfonyl chloride",
      "@language": "en",
      "@lang": "en",
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        ],
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      }
    },
    {
      "@value": "N-Acetylsulfanilyl chloride",
      "@language": "en",
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          "https://commonchemistry.cas.org/detail?cas_rn=121-60-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "N4-Acetylsulfanilyl chloride",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=121-60-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "p-(Acetylamino)benzenesulfonyl chloride",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "https://commonchemistry.cas.org/detail?cas_rn=121-60-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "p-(Chlorosulfonyl)acetanilide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=121-60-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "p-Acetamidobenzenesulfonyl chloride",
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        ],
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      }
    },
    {
      "@value": "p-Acetamidophenylsulfonyl chloride",
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      }
    },
    {
      "@value": "p-Acetylaminophenylsulfonyl chloride",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Sulfanilyl chloride, N-acetyl-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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      }
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  ],
  "properties": {
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      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C8H8ClNO3S"
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      "attested_by": {
        "C8H8ClNO3S": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
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        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(=O)Nc1ccc(S(=O)(=O)Cl)cc1"
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      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "GRDXCFKBQWDAJH-UHFFFAOYSA-N"
      ],
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      "rdfs:label": "InChIKey",
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          ]
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    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "CC(=O)Nc1ccc(S(=O)(=O)Cl)cc1"
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      "provenance": [
        {
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        {
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      ],
      "attested_by": {
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    },
    "https://w3id.org/chemrof/inchi2d_string": {
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      "rdfs:label": "InChI",
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    },
    "https://w3id.org/chemrof/IUPAC_name": {
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      "rdfs:label": "IUPAC name",
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    },
    "https://w3id.org/chemrof/molecular_mass": {
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      "attested_by": {
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    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
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      "@value": [
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      ],
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        }
      ],
      "attested_by": {
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      },
      "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=J5.341D",
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    },
    {
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