Pyridine, 2-[[(4-chlorophenyl)methyl]sulfonyl]-, 1-oxide
Basic information
- CAS
62381-74-2- Standard SMILES
O=S(=O)(Cc1ccc(Cl)cc1)c1cccc[n+]1[O-]- InChIKey
IGBSOYFNMGVYGL-UHFFFAOYSA-N- Molecular formula
- C12H10ClNO3S
- Average molar mass
- 283.73 g/mol
- Monoisotopic mass
- 283.006992
Names & identifiers
- Preferred name
- Pyridine, 2-[[(4-chlorophenyl)methyl]sulfonyl]-, 1-oxide
- IUPAC
- 2-[(4-chlorophenyl)methylsulfonyl]-1-oxidopyridin-1-ium
Names & synonyms
62381-74-2Pyridine, 2-[[(4-chlorophenyl)methyl]sulfonyl]-, 1-oxideSCHEMBL11732682DTXSID803333682-(4-Chloro-phenylmethanesulfonyl)-pyridine, 1-oxide2-[(4-chlorophenyl)methylsulfonyl]-1-oxido-pyridin-1-ium2-[(4-Chlorophenyl)methanesulfonyl]-1-oxo-1lambda~5~-pyridine
Database identifiers
- CAS
62381-74-2- PubChem CID
- 501102
- DTXSID
DTXSID80333368
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 68 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 360
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…