4-methylpyridine-2-sulfonamide

• ChemBase ID: 274585
• Molecular Formular: C6H8N2O2S
• Molecular Mass: 172.20492
• Monoisotopic Mass: 172.03064851
• SMILES: S(=O)(=O)(c1nccc(c1)C)N
• Canonical SMILES: Cc1ccnc(c1)S(=O)(=O)N
• InChI: InChI=1S/C6H8N2O2S/c1-5-2-3-8-6(4-5)11(7,9)10/h2-4H,1H3,(H2,7,9,10)
• InChIKey: FBMGULVEPROMAT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methylpyridine-2-sulfonamide
• IUPAC Traditional name: 4-methylpyridine-2-sulfonamide
• Synonyms: 4-methylpyridine-2-sulfonamide

Database IDs

• MDL Number: MFCD11656590
• PubChem SID: 164330495
• PubChem CID: 12295470

CALCULATED PROPERTIES

• Acid pKa: 8.958222
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.46934906
• LogD (pH = 7.4): 0.45900315
• Log P: 0.46948308
• Molar Refractivity: 41.4137 cm^3
• Polarizability: 16.53246 Å^3
• Polar Surface Area: 73.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 163 - 165°C
• Hydrophobicity(logP): 0.304

Product Information

• Purity: 95%