2-chloropyridine-3-sulfonamide

• ChemBase ID: 53989
• Molecular Formular: C5H5ClN2O2S
• Molecular Mass: 192.6234
• Monoisotopic Mass: 191.97602609
• SMILES: S(=O)(=O)(c1c(nccc1)Cl)N
• Canonical SMILES: Clc1ncccc1S(=O)(=O)N
• InChI: InChI=1S/C5H5ClN2O2S/c6-5-4(11(7,9)10)2-1-3-8-5/h1-3H,(H2,7,9,10)
• InChIKey: GUYJBKABCVQXFR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloropyridine-3-sulfonamide
• IUPAC Traditional name: 2-chloropyridine-3-sulfonamide
• Synonyms: 2-Chloro-pyridine-3-sulfonic acid amide; 2-chloropyridine-3-sulfonamide

Database IDs

• CAS Number: 38025-93-3
• MDL Number: MFCD08752623
• PubChem SID: 162058752
• PubChem CID: 12234445

CALCULATED PROPERTIES

• LogD (pH = 5.5): 0.18545696
• LogD (pH = 7.4): 0.15768121
• Log P: 0.18582602
• Molar Refractivity: 41.9251 cm^3
• Polarizability: 16.817244 Å^3
• Polar Surface Area: 73.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• Acid pKa: 8.517893
• H Acceptors: 3
• H Donor: 1

PROPERTIES

Physical Property

• Melting Point: 183 - 185°C
• Hydrophobicity(logP): 0.213

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%