4-chloropyridine-2-sulfonyl chloride

• ChemBase ID: 815147
• Molecular Formular: C5H3Cl2NO2S
• Molecular Mass: 212.05382
• Monoisotopic Mass: 210.9261547
• SMILES: n1c(cc(cc1)Cl)S(=O)(=O)Cl
• Canonical SMILES: Clc1ccnc(c1)S(=O)(=O)Cl
• InChI: InChI=1S/C5H3Cl2NO2S/c6-4-1-2-8-5(3-4)11(7,9)10/h1-3H
• InChIKey: WMGWDIFEYNPWAK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1060809-16-6

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.9003786
• LogD (pH = 7.4): 1.9003786
• Log P: 1.9003786
• Molar Refractivity: 43.2136 cm^3
• Polarizability: 17.563051 Å^3
• Polar Surface Area: 47.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%