4-(4-{[(4-aminophenyl)sulfonyl]amino}phenyl)butanoic acid (CHEBI:145415)

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

ChEBI ID	CHEBI:145415

Definition	A sulfonamide consisting of 4-phenylbutanoic acid with a 4-aminobenzenesulfonamido group at the phenyl 4-position.

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

Supplier Information

Download	Molfile XML SDF

Formula

C16H18N2O4S

Net Charge

Average Mass

334.390

Monoisotopic Mass

334.09873

InChI

InChI=1S/C16H18N2O4S/c17-13-6-10-15(11-7-13)23(21,22)18-14-8-4-12(5-9-14)2-1-3-16(19)20/h4-11,18H,1-3,17H2,(H,19,20)

InChIKey

QRJXAOKWKYCSHS-UHFFFAOYSA-N

SMILES

NC1=CC=C(C=C1)S(=O)(=O)NC=2C=CC(=CC2)CCCC(=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-{[(4-aminophenyl)sulfonyl]amino}phenyl)butanoic acid (CHEBI:145415) has role hapten (CHEBI:59174) 4-(4-{[(4-aminophenyl)sulfonyl]amino}phenyl)butanoic acid (CHEBI:145415) is a monocarboxylic acid (CHEBI:25384) 4-(4-{[(4-aminophenyl)sulfonyl]amino}phenyl)butanoic acid (CHEBI:145415) is a sulfonamide (CHEBI:35358)

IUPAC Name

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

Synonyms	Sources
4-(4-{[(4-aminophenyl)sulfonyl]amino}phenyl)butyric acid	ChEBI
4-[4-[(4-aminophenyl)sulfonylamino]phenyl]butanoic acid	ChEBI

Citation	Type	Source
30580515	PubMed citation	Europe PMC

Last Modified

18 November 2019