Brightway Flows 1.0
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4-methylbenzenesulfonamide

fo-a6ff8aed6fdb86a4

Identity

Type
Neutral molecule
CAS
70-55-3
EC
200-741-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 4-methylbenzenesulfonamide

Alternative labels

15

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string LMYRWZFENFIFIT-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C7H9NO2S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H2,8,9,10)
IUPAC name chemrof:IUPAC_name 4-methylbenzenesulfonamide
Molecular formula chemrof:molecular_formula C7H9NO2S
Molecular mass chemrof:molecular_mass 171.221
Monoisotopic mass chemrof:monoisotopic_mass 171.0354
SMILES string chemrof:smiles_string Cc1ccc(S(N)(=O)=O)cc1

Known URLs

21

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=70-55-3 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:34435 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.000.674 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=1557 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID8029105 enrich_references.pubchem_identifier_url
drugbank.ca https://www.drugbank.ca/drugs/DB17299 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=9908 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL574 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/I8266RI90M enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0246504 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J4.878J enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C14412 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C14412 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=54978 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C156702 enrich_references.pubchem_identifier_url
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL574 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/6269 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=018427 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/1377354 enrich_references.chebi_xrefs
reaxys reaxys:472689 enrich_references.chebi_xrefs
Wikidata https://www.wikidata.org/wiki/Q23013959 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
b91abd2f-650c-4b26-9f88-5bae689e3a23 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
b6fb8bcc-9ba4-468c-baf2-ad8646ddc5ef Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
c93b4a45-f4d0-41df-be4e-e01b07f858d3 Environmental → Air → Indoor EF 3.1 kg 4
246ce993-a7ad-44fe-9e63-3d365d635a45 Environmental → Air → Long-term EF 3.1 kg 0
973e24cd-5cda-415d-b437-fda3fcce2dc4 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
36324c36-57e7-4164-ac93-956fef122b81 Environmental → Air → Unknown EF 3.1 kg 4
287d07f5-b200-4163-ac4d-d70e6f131f4a Environmental → Ground → Agricultural EF 3.1 kg 4
961afd99-1f93-4c5f-8ef4-7a61b223efa8 Environmental → Ground → Non-agricultural EF 3.1 kg 4
461334f7-fa2d-430f-b9f4-748716583c7d Environmental → Ground → Unknown EF 3.1 kg 4
a5b2223d-7386-474f-8b4e-baaebc1c12b8 Environmental → Water → Long-term EF 3.1 kg 0
7f7e1199-cab4-427b-805c-a207b76b9b63 Environmental → Water → Ocean EF 3.1 kg 4
5f444282-fccd-4f90-a9f3-e63292cd112f Environmental → Water → Surface water EF 3.1 kg 4
f5427112-de7b-421b-b666-5dd87c561091 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-a6ff8aed6fdb86a4",
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  "altLabel": [
    {
      "@value": "4-Methylbenzene-1-sulfonamide",
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    {
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