pyridine-2-sulfonyl chloride

• ChemBase ID: 180493
• Molecular Formular: C5H4ClNO2S
• Molecular Mass: 177.60876
• Monoisotopic Mass: 176.96512705
• SMILES: c1(ccccn1)S(=O)(=O)Cl
• Canonical SMILES: ClS(=O)(=O)c1ccccn1
• InChI: InChI=1S/C5H4ClNO2S/c6-10(8,9)5-3-1-2-4-7-5/h1-4H
• InChIKey: JQJOGAGLBDBMLU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pyridine-2-sulfonyl chloride
• IUPAC Traditional name: pyridine-2-sulfonyl chloride
• Synonyms: Pyridine-2-sulfonyl chloride

Database IDs

• CAS Number: 111480-84-3; 66715-65-9
• PubChem SID: 164236403
• PubChem CID: 3787675

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.2963339
• LogD (pH = 7.4): 1.2963339
• Log P: 1.2963339
• Molar Refractivity: 38.4088 cm^3
• Polarizability: 15.584374 Å^3
• Polar Surface Area: 47.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%