Consensus flow list

Identity

Type
NeutralMolecule
CAS
13909-63-2
EC
424-620-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 1-phenyl-3-(p-toluenesulfonyl)urea

Alternative labels

6

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string BBQLCKFJEDETJU-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C14H14N2O3S/c1-11-7-9-13(10-8-11)20(18,19)16-14(17)15-12-5-3-2-4-6-12/h2-10H,1H3,(H2,15,16,17)
IUPAC name chemrof:IUPAC_name 1-phenyl-3-(p-toluenesulfonyl)urea
Molecular formula chemrof:molecular_formula C14H14N2O3S
Molecular mass chemrof:molecular_mass 290.344
Monoisotopic mass chemrof:monoisotopic_mass 290.072513
SMILES string chemrof:smiles_string Cc1ccc(S(=O)(=O)NC(=O)Nc2ccccc2)cc1

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=13909-63-2 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.102.313 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID60877497 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL79192 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J282.649F enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/847415 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q82859322 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
b30b3c83-9bf9-4860-9512-e4c26286fc79 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
b10bc2f0-f229-40fe-8f1c-bb06c621a1d0 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
429d5a48-b53b-4d61-a730-90689e995890 Environmental → Air → Indoor EF 3.1 kg 4
dcfe815e-e0ed-4198-b5f1-72b0675ed406 Environmental → Air → Long-term EF 3.1 kg 0
9fa40535-3a57-464e-8504-9488c8fb681d Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
ac671d05-3a7d-4794-9a10-8697b10ce4ec Environmental → Air → Unknown EF 3.1 kg 4
dbe38686-f725-4e4c-a403-cc6d073d2685 Environmental → Ground → Agricultural EF 3.1 kg 4
5b365c4e-652b-44fd-be18-628b590e1dea Environmental → Ground → Non-agricultural EF 3.1 kg 4
a2093cdc-281f-48db-9f85-80ecc18f76ca Environmental → Ground → Unknown EF 3.1 kg 4
73d4c103-86de-4706-b5fe-d41d34e2740c Environmental → Water → Long-term EF 3.1 kg 0
75e0f03c-e765-4b3f-998d-46fe9dae0270 Environmental → Water → Ocean EF 3.1 kg 4
cb825931-2945-40a6-9445-eb416075be56 Environmental → Water → Surface water EF 3.1 kg 4
2ef6705b-f61e-439a-8b26-1035c98b42a8 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-c9d2f5eb46ed512c",
  "prefLabel": [
    {
      "@value": "1-phenyl-3-(p-toluenesulfonyl)urea",
      "@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-Methyl-N-[(phenylamino)carbonyl]benzenesulfonamide",
      "@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=13909-63-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzenesulfonamide, 4-methyl-N-[(phenylamino)carbonyl]-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "LY 181985",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "N-(p-Toluenesulfonyl)-N′-phenylurea",
      "@language": "en",
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      "provenance": {
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      }
    },
    {
      "@value": "N-Phenyl-N′-(p-tolylsulfonyl)urea",
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    },
    {
      "@value": "Urea, 1-phenyl-3-(p-tolylsulfonyl)-",
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}

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