N1-(2-cyanoethyl)-3-amino-4-chlorobenzene-1-sulfonamide (CHEBI:194293)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	N1-(2-cyanoethyl)-3-amino-4-chlorobenzene-1-sulfonamide

ChEBI ID	CHEBI:194293

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C9H10ClN3O2S

Net Charge

Average Mass

259.710

Monoisotopic Mass

259.01823

InChI

InChI=1S/C9H10ClN3O2S/c10-8-3-2-7(6-9(8)12)16(14,15)13-5-1-4-11/h2-3,6,13H,1,5,12H2

InChIKey

DNMYCTLTLUHRRT-UHFFFAOYSA-N

SMILES

ClC1=C(N)C=C(S(=O)(=O)NCCC#N)C=C1

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	Found in peripheral blood mononuclear cell (BTO:0001025). See: MetaboLights Study

ChEBI Ontology
Outgoing	N1-(2-cyanoethyl)-3-amino-4-chlorobenzene-1-sulfonamide (CHEBI:194293) is a benzenes (CHEBI:22712) N1-(2-cyanoethyl)-3-amino-4-chlorobenzene-1-sulfonamide (CHEBI:194293) is a sulfonamide (CHEBI:35358)

IUPAC Name

3-amino-4-chloro-N-(2-cyanoethyl)benzenesulonamide