Basic information
- CAS
135-10-4- Standard SMILES
Nc1ccc(S(=O)(=O)Nc2ccccc2C(=O)O)cc1C(=O)O- InChIKey
JRNYSJXPPZZAQR-UHFFFAOYSA-N- Molecular formula
- C14H12N2O6S
- Average molar mass
- 336.32 g/mol
- Monoisotopic mass
- 336.04160728
Names & identifiers
- Preferred name
- Benzoic acid, 2-amino-5-(((2-carboxyphenyl)amino)sulfonyl)-
- IUPAC
- 2-amino-5-[(2-carboxyphenyl)sulfamoyl]benzoic acid
- English name
- 2-amino-5-[[(2-carboxyphenyl)amino]sulphonyl]benzoic acid
- Molecular formula
- C14H12N2O6S
- Molecular weight
- 336.32
Names & synonyms
EINECS 205-174-3Benzoic acid, 2-amino-5-[[(2-carboxyphenyl)amino]sulfonyl]-DTXSID2059645Benzoic acid, 2-amino-5-(((2-carboxyphenyl)amino)sulfonyl)-RefChem:565499DTXCID5034278135-10-42-amino-5-[(2-carboxyphenyl)sulfamoyl]benzoic acid2-amino-5-[[(2-carboxyphenyl)amino]sulphonyl]benzoic acid2-Amino-5-[[(2-carboxyphenyl)amino]sulfonyl]benzoic acid2-Amino-5-(((2-carboxyphenyl)amino)sulphonyl)benzoic acidSCHEMBL11026493
Show more names
4-Amino-3-carboxy-N-(2-carboxyphenyl)-benzenesulfonamide
JRNYSJXPPZZAQR-UHFFFAOYSA-NNS00024373AE-641/007810222-amino-5-[(2-carboxyanilino)sulfonyl]benzoic acid
Database identifiers
- CAS
135-10-4- PubChem CID
- 67263
- DTXSID
DTXSID2059645- EC Number
- 205-174-3
- Nikkaji
- J64.461G
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 155 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 558
Physicochemical properties
- Boiling point
- 631.1 · 631.1±65.0 °C(Predicted)
- Density
- 1.633 · 1.633±0.06 g/cm3(Predicted)
- pka
- 3.26 · 3.26±0.36(Predicted)
- EPA Substance Registry System
- 2 · Benzoic acid, 2-amino-5-[[(2-carboxyphenyl)amino]sulfonyl]- (135-10-4)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzoic acid, 2-amino-5-[[(2-carboxyphenyl)amino]sulfonyl]-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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