5-chloropyridine-2-sulfonamide

• ChemBase ID: 273761
• Molecular Formular: C5H5ClN2O2S
• Molecular Mass: 192.6234
• Monoisotopic Mass: 191.97602609
• SMILES: S(=O)(=O)(c1ncc(cc1)Cl)N
• Canonical SMILES: Clc1ccc(nc1)S(=O)(=O)N
• InChI: InChI=1S/C5H5ClN2O2S/c6-4-1-2-5(8-3-4)11(7,9)10/h1-3H,(H2,7,9,10)
• InChIKey: WGGLFVLYPJOVSQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloropyridine-2-sulfonamide
• IUPAC Traditional name: 5-chloropyridine-2-sulfonamide
• Synonyms: 5-chloropyridine-2-sulfonamide

Database IDs

• MDL Number: MFCD16093756
• PubChem SID: 164329671
• PubChem CID: 22244571

CALCULATED PROPERTIES

• Acid pKa: 8.423009
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.55964726
• LogD (pH = 7.4): 0.52542764
• Log P: 0.56010634
• Molar Refractivity: 41.1773 cm^3
• Polarizability: 16.758997 Å^3
• Polar Surface Area: 73.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 125 - 127°C
• Hydrophobicity(logP): 0.613

Product Information

• Purity: 95%