4-(((4-Aminophenyl)sulfonyl)methyl)benzoic acid
Basic information
- CAS
110046-38-3- Standard SMILES
Nc1ccc(S(=O)(=O)Cc2ccc(C(=O)O)cc2)cc1- InChIKey
BAFAZNBPUOOAIN-UHFFFAOYSA-N- Molecular formula
- C14H13NO4S
- Average molar mass
- 291.32 g/mol
- Monoisotopic mass
- 291.05652907
Names & identifiers
- Preferred name
- 4-(((4-Aminophenyl)sulfonyl)methyl)benzoic acid
- IUPAC
- 4-[(4-aminophenyl)sulfonylmethyl]benzoic acid
Names & synonyms
4-(((4-Aminophenyl)sulfonyl)methyl)benzoic acidNSC635200110046-38-3Benzoic acid, 4-(((4-aminophenyl)sulfonyl)methyl)-4-[[(4-Aminophenyl)sulfonyl]methyl]benzoic acid4-[(4-aminophenyl)sulfonylmethyl]benzoic acidDTXSID00911465NSC-6352004-[(4-Aminobenzene-1-sulfonyl)methyl]benzoic acid
Database identifiers
- CAS
110046-38-3- PubChem CID
- 366574
- DTXSID
DTXSID00911465
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 427
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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