Basic information
- CAS
876717-63-4- Standard SMILES
O=C(O)c1ccc(S(=O)(=O)Nc2ccc(Cl)cn2)cc1- InChIKey
SHBNUAVUZCYDRF-UHFFFAOYSA-N- Molecular formula
- C12H9ClN2O4S
- Average molar mass
- 312.73 g/mol
- Monoisotopic mass
- 311.9971556
Names & identifiers
- Preferred name
- 4-[(5-Chloropyridin-2-yl)sulfamoyl]benzoic acid
- IUPAC
- 4-[(5-chloro-2-pyridinyl)sulfamoyl]benzoic acid
Names & synonyms
876717-63-44-[(5-chloropyridin-2-yl)sulfamoyl]benzoic acid4-[[(5-Chloro-2-pyridinyl)amino]sulfonyl]benzoic acidBenzoic acid, 4-[[(5-chloro-2-pyridinyl)amino]sulfonyl]-DTXSID501214572AKOS0005113164-{[(5-chloropyridin-2-yl)amino]sulfonyl}benzoic acid
Database identifiers
- CAS
876717-63-4- PubChem CID
- 6463370
- DTXSID
DTXSID501214572
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 443
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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