2-chloropyridine-4-sulfonamide

• ChemBase ID: 247784
• Molecular Formular: C5H5ClN2O2S
• Molecular Mass: 192.6234
• Monoisotopic Mass: 191.97602609
• SMILES: S(=O)(=O)(c1cc(ncc1)Cl)N
• Canonical SMILES: Clc1nccc(c1)S(=O)(=O)N
• InChI: InChI=1S/C5H5ClN2O2S/c6-5-3-4(1-2-8-5)11(7,9)10/h1-3H,(H2,7,9,10)
• InChIKey: HMULZMJXHFXUDR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD12820445
• PubChem SID: 164303694
• PubChem CID: 61004341

CALCULATED PROPERTIES

• Acid pKa: 9.15873
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.18574157
• LogD (pH = 7.4): 0.17918427
• Log P: 0.18582602
• Molar Refractivity: 41.9251 cm^3
• Polarizability: 16.793941 Å^3
• Polar Surface Area: 73.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 134 - 136°C
• Hydrophobicity(logP): 0.513

Product Information

• Purity: 95%