(6-chloropyridin-3-yl)methanesulfonamide

• ChemBase ID: 265690
• Molecular Formular: C6H7ClN2O2S
• Molecular Mass: 206.64998
• Monoisotopic Mass: 205.99167615
• SMILES: S(=O)(=O)(Cc1cnc(Cl)cc1)N
• Canonical SMILES: Clc1ccc(cn1)CS(=O)(=O)N
• InChI: InChI=1S/C6H7ClN2O2S/c7-6-2-1-5(3-9-6)4-12(8,10)11/h1-3H,4H2,(H2,8,10,11)
• InChIKey: FXAYLXDXQGKVOB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (6-chloropyridin-3-yl)methanesulfonamide
• IUPAC Traditional name: (6-chloropyridin-3-yl)methanesulfonamide
• Synonyms: (6-chloropyridin-3-yl)methanesulfonamide

Database IDs

• MDL Number: MFCD12174262
• PubChem SID: 164321600
• PubChem CID: 21498722

CALCULATED PROPERTIES

• Acid pKa: 10.631075
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.052048773
• LogD (pH = 7.4): -0.052263793
• Log P: -0.052037753
• Molar Refractivity: 46.5125 cm^3
• Polarizability: 18.632122 Å^3
• Polar Surface Area: 73.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 142 - 144°C
• Hydrophobicity(logP): -0.426

Product Information

• Purity: 95%