Basic information
- CAS
959576-19-3- Standard SMILES
CNS(=O)(=O)c1cc(Cl)ccc1S(=O)c1ccccc1C(=O)O- InChIKey
LRXVYUVHTLVCAE-UHFFFAOYSA-N- Molecular formula
- C14H12ClNO5S2
- Average molar mass
- 373.8 g/mol
- Monoisotopic mass
- 372.9845425
Names & identifiers
- Preferred name
- 2-[[4-Chloro-2-[(methylamino)sulfonyl]phenyl]sulfinyl]benzoic acid
- IUPAC
- 2-[4-chloro-2-(methylsulfamoyl)phenyl]sulfinylbenzoic acid
Names & synonyms
Oprea1_370466DTXSID3011643412-[[4-Chloro-2-[(methylamino)sulfonyl]phenyl]sulfinyl]benzoic acid959576-19-32-[4-Chloro-2-(methylsulfamoyl)benzene-1-sulfinyl]benzoic acid
Database identifiers
- CAS
959576-19-3- PubChem CID
- 2729751
- DTXSID
DTXSID301164341
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 562
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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