4-{[(4-aminophenyl)sulfonyl]amino}butanoic acid (CHEBI:145409)

ChEBI > Main

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name	4-{[(4-aminophenyl)sulfonyl]amino}butanoic acid

ChEBI ID	CHEBI:145409

Definition	A sulfonamide consisting of butanoic acid with a 4-aminobenzenesulfonamido group at its 4-position.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C10H14N2O4S

Net Charge

Average Mass

258.290

Monoisotopic Mass

258.06743

InChI

InChI=1S/C10H14N2O4S/c11-8-3-5-9(6-4-8)17(15,16)12-7-1-2-10(13)14/h3-6,12H,1-2,7,11H2,(H,13,14)

InChIKey

PLVIOWGDVCMNAH-UHFFFAOYSA-N

SMILES

NC1=CC=C(C=C1)S(=O)(=O)NCCCC(=O)O

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

Biological Role(s):	hapten Any substance capable of eliciting an immune response only when attached to a large carrier such as a protein. Examples include dinitrophenols; oligosaccharides; peptides; and heavy metals.

ChEBI Ontology
Outgoing	4-{[(4-aminophenyl)sulfonyl]amino}butanoic acid (CHEBI:145409) has role hapten (CHEBI:59174) 4-{[(4-aminophenyl)sulfonyl]amino}butanoic acid (CHEBI:145409) is a monocarboxylic acid (CHEBI:25384) 4-{[(4-aminophenyl)sulfonyl]amino}butanoic acid (CHEBI:145409) is a sulfonamide (CHEBI:35358)

IUPAC Name

4-[(4-aminobenzene-1-sulfonyl)amino]butanoic acid

Synonyms	Sources
4-{[(4-Aminophenyl)sulfonyl]amino}butansäure	ChEBI
4-{[(4-aminophenyl)sulfonyl]amino}butyric acid	ChEBI
acide 4-{[(4-aminophényl)sulfonyl]amino}butanoïque	ChEBI

Registry Number	Type	Source
457942-90-4	CAS Registry Number	Chemspider

Citation	Type	Source
30580515	PubMed citation	Europe PMC

Last Modified

18 November 2019