2-(benzenesulfonyl)pyridine

• ChemBase ID: 69234
• Molecular Formular: C11H9NO2S
• Molecular Mass: 219.25966
• Monoisotopic Mass: 219.03539953
• SMILES: c1(ccccn1)S(=O)(=O)c1ccccc1
• Canonical SMILES: O=S(=O)(c1ccccn1)c1ccccc1
• InChI: InChI=1S/C11H9NO2S/c13-15(14,10-6-2-1-3-7-10)11-8-4-5-9-12-11/h1-9H
• InChIKey: MPTVNPMFAZVTJG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(benzenesulfonyl)pyridine
• IUPAC Traditional name: 2-(benzenesulfonyl)pyridine
• Synonyms: 2-(Phenylsulfonyl)pyridine

Database IDs

• CAS Number: 24244-60-8
• MDL Number: MFCD09999263
• PubChem SID: 162034962
• PubChem CID: 289829

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.3048656
• LogD (pH = 7.4): 2.3048656
• Log P: 2.3048656
• Molar Refractivity: 57.7468 cm^3
• Polarizability: 23.49289 Å^3
• Polar Surface Area: 47.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%; 97%