pyridine-2-sulfonamide

• ChemBase ID: 63118
• Molecular Formular: C5H6N2O2S
• Molecular Mass: 158.17834
• Monoisotopic Mass: 158.01499844
• SMILES: c1ccc(S(=O)(=O)N)nc1
• Canonical SMILES: NS(=O)(=O)c1ccccn1
• InChI: InChI=1S/C5H6N2O2S/c6-10(8,9)5-3-1-2-4-7-5/h1-4H,(H2,6,8,9)
• InChIKey: DWJMBQYORXLGAE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pyridine-2-sulfonamide
• IUPAC Traditional name: pyridine-2-sulfonamide
• Synonyms: 2-Pyridinesulfonamide; pyridine-2-sulfonamide

Database IDs

• CAS Number: 63636-89-5
• MDL Number: MFCD09260336
• PubChem SID: 162028857
• PubChem CID: 12000791

CALCULATED PROPERTIES

• Acid pKa: 8.923414
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.044083435
• LogD (pH = 7.4): -0.055278517
• Log P: -0.043938313
• Molar Refractivity: 36.3725 cm^3
• Polarizability: 14.781968 Å^3
• Polar Surface Area: 73.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 141 - 143°C
• Hydrophobicity(logP): -0.195

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%; 95%