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N-butylbenzenesulphonamide

fo-974d57bdbaead970

Identity

Type
Neutral molecule
CAS
3622-84-2
EC
222-823-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for N-butylbenzenesulphonamide

Alternative labels

12

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string IPRJXAGUEGOFGG-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C10H15NO2S/c1-2-3-9-11-14(12,13)10-7-5-4-6-8-10/h4-8,11H,2-3,9H2,1H3
IUPAC name chemrof:IUPAC_name N-butylbenzenesulphonamide
Molecular formula chemrof:molecular_formula C10H15NO2S
Molecular mass chemrof:molecular_mass 213.302
Monoisotopic mass chemrof:monoisotopic_mass 213.08235
SMILES string chemrof:smiles_string CCCCNS(=O)(=O)c1ccccc1

Known URLs

22

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=3622-84-2 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:44237 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.020.749 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID7027540 enrich_references.pubchem_identifier_url
drugbank.ca https://www.drugbank.ca/drugs/DB02055 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=3536 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL479880 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/YO7UAW6717 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J62.171D enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=106861 enrich_references.pubchem_identifier_url
patent patent:CA2596618 enrich_references.chebi_xrefs
patent patent:WO2006081994 enrich_references.chebi_xrefs
pdb-ccd pdb-ccd:NBB enrich_references.chebi_xrefs
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL479880 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/19241 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/16783690 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/17369196 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22789816 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22824510 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/8512189 enrich_references.chebi_xrefs
reaxys reaxys:2725965 enrich_references.chebi_xrefs
Wikidata https://www.wikidata.org/wiki/Q14853448 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
f7c3d99c-a954-4a4a-8c2a-a6044248e687 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
d5b0999c-b8ad-4f78-a2fa-abb729e16fcb Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
0819c061-563b-41d1-80ae-a2d5d587022c Environmental → Air → Indoor EF 3.1 kg 4
069a0636-2ec1-4fea-af1f-d3d882048f34 Environmental → Air → Long-term EF 3.1 kg 0
6e47ca50-9392-409a-9c72-965787502e0f Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
33fa557d-b6da-4056-b951-b15d54af3fff Environmental → Air → Unknown EF 3.1 kg 4
ff43a20a-45b7-4b58-ad0a-1bf7f446ff0c Environmental → Ground → Agricultural EF 3.1 kg 4
72a08274-0c66-496d-af27-ff32ab6cd5f7 Environmental → Ground → Non-agricultural EF 3.1 kg 4
e4a04194-05e4-4ef1-aa33-1d29ca55973a Environmental → Ground → Unknown EF 3.1 kg 4
0ff7055c-ceef-4f7d-b7b3-091a503e5619 Environmental → Water → Long-term EF 3.1 kg 0
17f9a668-fd90-4fa5-9648-66c79c431c05 Environmental → Water → Ocean EF 3.1 kg 4
8ab851b1-3307-40d9-bc2c-e5fb0c0013e7 Environmental → Water → Surface water EF 3.1 kg 4
6ad607a2-6692-41ab-9fd6-a04584d9fefe 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 
{
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