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CHEBI:145418 - (2-{[(4-aminophenyl)sulfonyl]amino}-1,3-thiazol-5-yl)acetic acid

ChEBI IDCHEBI:145418
ChEBI Name(2-{[(4-aminophenyl)sulfonyl]amino}-1,3-thiazol-5-yl)acetic acid
Stars
DefinitionA sulfonamide consisting of 1,3-thiazol-5-ylacetic acid with a 4-aminobenzenesulfonamido group at the thiazole 2-position.
Last Modified19 November 2019
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC11H11N3O4S2
Net Charge0
Average Mass313.360
Monoisotopic Mass313.01910
SMILESNc1ccc(S(=O)(=O)Nc2ncc(CC(=O)O)s2)cc1
InChIInChI=1S/C11H11N3O4S2/c12-7-1-3-9(4-2-7)20(17,18)14-11-13-6-8(19-11)5-10(15)16/h1-4,6H,5,12H2,(H,13,14)(H,15,16)
InChIKeyNYMIDEKPLFFDQW-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)
(2-{[(4-aminophenyl)sulfonyl]amino}-1,3-thiazol-5-yl)acetic acid (CHEBI:145418) has role hapten (CHEBI:59174)
(2-{[(4-aminophenyl)sulfonyl]amino}-1,3-thiazol-5-yl)acetic acid (CHEBI:145418) is a monocarboxylic acid (CHEBI:25384)
(2-{[(4-aminophenyl)sulfonyl]amino}-1,3-thiazol-5-yl)acetic acid (CHEBI:145418) is a sulfonamide (CHEBI:35358)
IUPAC Name 
{2-[(4-aminobenzene-1-sulfonyl)amino]-1,3-thiazol-5-yl}acetic acid
Synonym  Source
2-[2-[(4-aminophenyl)sulfonylamino]-1,3-thiazol-5-yl]acetic acidChEBI
Citations