5-Amino-2-(4-aminophenyl)sulfonylbenzoic acid
Basic information
- CAS
113597-76-5- Standard SMILES
Nc1ccc(S(=O)(=O)c2ccc(N)cc2C(=O)O)cc1- InChIKey
MBUSRDPSYZVOGB-UHFFFAOYSA-N- Molecular formula
- C13H12N2O4S
- Average molar mass
- 292.31 g/mol
- Monoisotopic mass
- 292.05177804
Names & identifiers
- Preferred name
- 5-Amino-2-(4-aminophenyl)sulfonylbenzoic acid
- IUPAC
- 5-amino-2-(4-aminophenyl)sulfonylbenzoic acid
Names & synonyms
DTXSID5013324775-amino-2-(4-aminophenyl)sulfonylbenzoic acid5-Amino-2-(4-aminobenzene-1-sulfonyl)benzoic acid113597-76-5
Database identifiers
- CAS
113597-76-5- PubChem CID
- 85546358
- DTXSID
DTXSID501332477- Nikkaji
- J1.595.881B
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 451
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Compound notes
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