6-methylpyridine-2-sulfonamide

• ChemBase ID: 274199
• Molecular Formular: C6H8N2O2S
• Molecular Mass: 172.20492
• Monoisotopic Mass: 172.03064851
• SMILES: S(=O)(=O)(c1nc(ccc1)C)N
• Canonical SMILES: Cc1cccc(n1)S(=O)(=O)N
• InChI: InChI=1S/C6H8N2O2S/c1-5-3-2-4-6(8-5)11(7,9)10/h2-4H,1H3,(H2,7,9,10)
• InChIKey: JJQJVNFFBMYTJK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methylpyridine-2-sulfonamide
• IUPAC Traditional name: 6-methylpyridine-2-sulfonamide
• Synonyms: 6-methylpyridine-2-sulfonamide

Database IDs

• MDL Number: MFCD01928496
• PubChem SID: 164330109
• PubChem CID: 819442

CALCULATED PROPERTIES

• Acid pKa: 8.986974
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.08730641
• LogD (pH = 7.4): 0.07761377
• Log P: 0.087431855
• Molar Refractivity: 40.964 cm^3
• Polarizability: 16.53413 Å^3
• Polar Surface Area: 73.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 165 - 167°C
• Hydrophobicity(logP): 0.304

Product Information

• Purity: 95%