3,3'-Sulfonylbis(6-aminobenzoic acid)
Basic information
- CAS
6338-59-6- Standard SMILES
Nc1ccc(S(=O)(=O)c2ccc(N)c(C(=O)O)c2)cc1C(=O)O- InChIKey
GSBAMPHXDICKMU-UHFFFAOYSA-N- Molecular formula
- C14H12N2O6S
- Average molar mass
- 336.32 g/mol
- Monoisotopic mass
- 336.04160728
Names & identifiers
- Preferred name
- 3,3'-Sulfonylbis(6-aminobenzoic acid)
- IUPAC
- 2-amino-5-(4-amino-3-carboxyphenyl)sulfonylbenzoic acid
- English name
- 2-amino-5-(4-amino-3-carboxy-phenyl)sulfonyl-benzoic acid
- Molecular formula
- C14H12N2O6S
- Molecular weight
- 336.32
Names & synonyms
6338-59-63,3'-sulfonylbis(6-aminobenzoic acid)NSC40767SCHEMBL715377DTXSID90285162NSC-40767Benzoic acid, 3,3'-sulfonylbis[6-amino-2-amino-5-(4-amino-3-carboxy-phenyl)sulfonyl-benzoic acid
Database identifiers
- CAS
6338-59-6- PubChem CID
- 237351
- DTXSID
DTXSID90285162
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 169 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 528
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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