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

ChEBI IDCHEBI:145415
ChEBI Name4-(4-{[(4-aminophenyl)sulfonyl]amino}phenyl)butanoic acid
Stars
DefinitionA sulfonamide consisting of 4-phenylbutanoic acid with a 4-aminobenzenesulfonamido group at the phenyl 4-position.
Last Modified18 November 2019
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC16H18N2O4S
Net Charge0
Average Mass334.397
Monoisotopic Mass334.09873
SMILESNc1ccc(S(=O)(=O)Nc2ccc(CCCC(=O)O)cc2)cc1
InChIInChI=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)
InChIKeyQRJXAOKWKYCSHS-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
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 Relation(s)
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  Source
4-[4-[(4-aminophenyl)sulfonylamino]phenyl]butanoic acidChEBI
4-(4-{[(4-aminophenyl)sulfonyl]amino}phenyl)butyric acidChEBI
Citations