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CHEBI:53237 - 4-sulfanilamidobenzoic acid

ChEBI IDCHEBI:53237
ChEBI Name4-sulfanilamidobenzoic acid
Stars
DefinitionA sulfonamide that is sulfanilamide substituted at the sulfonamide nitrogen by a 4-carboxyphenyl group.
Last Modified11 March 2019
Submitterzjosephs
DownloadsMolfile
FormulaC13H12N2O4S
Net Charge0
Average Mass292.316
Monoisotopic Mass292.05178
SMILESNc1ccc(S(=O)(=O)Nc2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C13H12N2O4S/c14-10-3-7-12(8-4-10)20(18,19)15-11-5-1-9(2-6-11)13(16)17/h1-8,15H,14H2,(H,16,17)
InChIKeyWNLOVPITXSWKEZ-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
allergen  A chemical compound, or part thereof, which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy.
ChEBI Ontology
Outgoing Relation(s)
4-sulfanilamidobenzoic acid (CHEBI:53237) has functional parent sulfanilamide (CHEBI:45373)
4-sulfanilamidobenzoic acid (CHEBI:53237) has role allergen (CHEBI:50904)
4-sulfanilamidobenzoic acid (CHEBI:53237) is a benzoic acids (CHEBI:22723)
4-sulfanilamidobenzoic acid (CHEBI:53237) is a sulfonamide (CHEBI:35358)
IUPAC Name 
4-{[(4-aminophenyl)sulfonyl]amino}benzoic acid
Synonyms  Source
SABAChEBI
4-sulphanilamidobenzoic acidChemIDplus
4-(((4-aminophenyl)sulfonyl)amino)benzoic acidChemIDplus
p-sulfanilamidobenzoic acidChemIDplus
4-SABAChEBI
4-sulphanilamide benzoic acidChEBI
Registry NumbersSources
Reaxys:2664013Reaxys
CAS:6336-70-5ChemIDplus
Citations