2-chloropyridine-4-sulfonyl chloride

• ChemBase ID: 289226
• Molecular Formular: C5H3Cl2NO2S
• Molecular Mass: 212.05382
• Monoisotopic Mass: 210.9261547
• SMILES: Clc1nccc(c1)S(=O)(=O)Cl
• Canonical SMILES: Clc1nccc(c1)S(=O)(=O)Cl
• InChI: InChI=1S/C5H3Cl2NO2S/c6-5-3-4(1-2-8-5)11(7,9)10/h1-3H
• InChIKey: YQKSHKJJXUAFAN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloropyridine-4-sulfonyl chloride
• IUPAC Traditional name: 2-chloropyridine-4-sulfonyl chloride
• Synonyms: 2-Chloropyridine-4-sulfonyl chloride

Database IDs

• CAS Number: 1000933-25-4
• MDL Number: MFCD09971485
• PubChem SID: 180674757
• PubChem CID: 43244400

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.5260983
• LogD (pH = 7.4): 1.5260983
• Log P: 1.5260983
• Molar Refractivity: 43.9614 cm^3
• Polarizability: 17.6076 Å^3
• Polar Surface Area: 47.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%