Pyridine, 2-[(phenylmethyl)sulfonyl]-, 1-oxide
Basic information
- CAS
14694-58-7- Standard SMILES
O=S(=O)(Cc1ccccc1)c1cccc[n+]1[O-]- InChIKey
PSMJATBJEWJPHE-UHFFFAOYSA-N- Molecular formula
- C12H11NO3S
- Average molar mass
- 249.29 g/mol
- Monoisotopic mass
- 249.04596439
Names & identifiers
- Preferred name
- Pyridine, 2-[(phenylmethyl)sulfonyl]-, 1-oxide
- IUPAC
- 2-benzylsulfonyl-1-oxidopyridin-1-ium
Names & synonyms
14694-58-7Pyridine, 2-[(phenylmethyl)sulfonyl]-, 1-oxideCHEMBL145797SCHEMBL5953187DTXSID703333372-benzylsulfonyl-1-oxido-pyridin-1-ium2-Phenylmethanesulfonyl-pyridine, 1-oxide1-Oxo-2-(phenylmethanesulfonyl)-1lambda~5~-pyridine
Database identifiers
- CAS
14694-58-7- PubChem CID
- 501064
- DTXSID
DTXSID70333337- ChEMBL
CHEMBL145797- Nikkaji
- J1.819.394I
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 68 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 330
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Compound notes
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