1-Oxo-2-(1-phenylethanesulfonyl)-1lambda~5~-pyridine
Basic information
- CAS
60264-03-1- Standard SMILES
CC(c1ccccc1)S(=O)(=O)c1cccc[n+]1[O-]- InChIKey
FWZSSYLZVKVKIH-UHFFFAOYSA-N- Molecular formula
- C13H13NO3S
- Average molar mass
- 263.31 g/mol
- Monoisotopic mass
- 263.06161445
Names & identifiers
- Preferred name
- 1-Oxo-2-(1-phenylethanesulfonyl)-1lambda~5~-pyridine
- IUPAC
- 1-oxido-2-(1-phenylethylsulfonyl)pyridin-1-ium
Names & synonyms
60264-03-11-Oxo-2-(1-phenylethanesulfonyl)-1lambda~5~-pyridineSCHEMBL10996671DTXSID90549413
Database identifiers
- CAS
60264-03-1- PubChem CID
- 13784698
- DTXSID
DTXSID90549413
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 68 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 357
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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