CHEBI:53237 - 4-sulfanilamidobenzoic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4-sulfanilamidobenzoic acid
ChEBI ID CHEBI:53237
Definition A sulfonamide that is sulfanilamide substituted at the sulfonamide nitrogen by a 4-carboxyphenyl group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C13H12N2O4S
Net Charge 0
Average Mass 292.31000
Monoisotopic Mass 292.05178
InChI InChI=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)
InChIKey WNLOVPITXSWKEZ-UHFFFAOYSA-N
SMILES Nc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)C(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): 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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
4-(((4-aminophenyl)sulfonyl)amino)benzoic acid ChemIDplus
4-SABA ChEBI
4-sulphanilamide benzoic acid ChEBI
4-sulphanilamidobenzoic acid ChemIDplus
p-sulfanilamidobenzoic acid ChemIDplus
SABA ChEBI
Registry Numbers Types Sources
2664013 Reaxys Registry Number Reaxys
2664013 Beilstein Registry Number Beilstein
6336-70-5 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
2420897 PubMed citation Europe PMC
313909 PubMed citation Europe PMC
89094 PubMed citation Europe PMC
91585 PubMed citation Europe PMC
Last Modified
11 March 2019