3-(Phenylsulfamoyl)benzoic acid
Basic information
- CAS
1576-45-0- Standard SMILES
O=C(O)c1cccc(S(=O)(=O)Nc2ccccc2)c1- InChIKey
YNRKZIPFWSDERE-UHFFFAOYSA-N- Molecular formula
- C13H11NO4S
- Average molar mass
- 277.3 g/mol
- Monoisotopic mass
- 277.04087901
Names & identifiers
- Preferred name
- 3-(Phenylsulfamoyl)benzoic acid
- IUPAC
- 3-(phenylsulfamoyl)benzoic acid
- English name
- Belinostat Impurity E
- Molecular formula
- C13H11NO4S
- Molecular weight
- 277.3
Names & synonyms
3-(phenylsulfamoyl)benzoic acid1576-45-03-AsbaBenzoic acid, m-(phenylsulfamoyl)-UNII-RA8T70956TTP201859Benzoic acid, 3-((phenylamino)sulfonyl)-TP-201859RA8T70956TBenzoic acid, 3-[(phenylamino)sulfonyl]-RefChem:927213-(N-phenylsulfamoyl)benzoic acid
Show more names
Belinostat Impurity 8Belinostat Impurity 53-(Anilinosulfonyl)benzenecarboxylic Acid3- (aniline sulfonyl) phenyl carboxylic acid
3-(Anilinosulfonyl)-benzenecarboxylic Acid (3-ASBA)3-Phenylsulfamoyl-benzoic acidBelinostat Impurity EOprea1_638184Oprea1_684370IFLab1_004655IFLab2_000118SCHEMBL4063367
Database identifiers
- CAS
1576-45-0- PubChem CID
- 759339
- DTXSID
DTXSID301303214- UNII
- RA8T70956T
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 91.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 409
Physicochemical properties
- Melting point
- 212 · 212-215 °C(Solv: ethanol (64-17-5))
- Boiling point
- 504 · 504.0±52.0 °C(Predicted)
- Density
- 1.451 · 1.451±0.06 g/cm3(Predicted)
- pka
- 3 · 3+-.0.10(Predicted)
- FDA UNII
- 8 T70956T · RA8T70956T
Chemistry & industry
Applications
Uses3-(Anilinosulfonyl)-benzenecarboxylic Acid (3-ASBA) is used in preparation of N-hydroxy[(phenylsulfamoyl)phenyl]acrylamides useful as histone deacetylase inhibitors for the treatment of cancer.
Related reactions
6 records
Compound notes
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