Pyridine, 2-[[(2-methoxy-5-methylphenyl)methyl]sulfonyl]-, 1-oxide
Basic information
- CAS
60264-24-6- Standard SMILES
COc1ccc(C)cc1CS(=O)(=O)c1cccc[n+]1[O-]- InChIKey
HKMIXSXBUSJGCO-UHFFFAOYSA-N- Molecular formula
- C14H15NO4S
- Average molar mass
- 293.34 g/mol
- Monoisotopic mass
- 293.07217913
Names & identifiers
- Preferred name
- Pyridine, 2-[[(2-methoxy-5-methylphenyl)methyl]sulfonyl]-, 1-oxide
- IUPAC
- 2-[(2-methoxy-5-methylphenyl)methylsulfonyl]-1-oxidopyridin-1-ium
Names & synonyms
60264-24-6Pyridine, 2-[[(2-methoxy-5-methylphenyl)methyl]sulfonyl]-, 1-oxideCHEMBL344747DTXSID603333612-(2-Methoxy-5-methyl-phenylmethanesulfonyl)-pyridine, 1-oxide2-[(2-methoxy-5-methyl-phenyl)methylsulfonyl]-1-oxido-pyridin-1-ium2-[(2-Methoxy-5-methylphenyl)methanesulfonyl]-1-oxo-1lambda~5~-pyridine
Database identifiers
- CAS
60264-24-6- PubChem CID
- 501094
- DTXSID
DTXSID60333361- ChEMBL
CHEMBL344747
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 77.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 406
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Compound notes
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