3,5-dichloropyridine-2-sulfonyl chloride

• ChemBase ID: 811205
• Molecular Formular: C5H2Cl3NO2S
• Molecular Mass: 246.49888
• Monoisotopic Mass: 244.88718235
• SMILES: n1c(c(cc(c1)Cl)Cl)S(=O)(=O)Cl
• Canonical SMILES: Clc1cnc(c(c1)Cl)S(=O)(=O)Cl
• InChI: InChI=1S/C5H2Cl3NO2S/c6-3-1-4(7)5(9-2-3)12(8,10)11/h1-2H
• InChIKey: SABQHHSBPBKFPQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5-dichloropyridine-2-sulfonyl chloride
• IUPAC Traditional name: 3,5-dichloropyridine-2-sulfonyl chloride
• Synonyms: 3,5-DICHLORO-PYRIDINE-2-SULFONYL CHLORIDE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.5044234
• LogD (pH = 7.4): 2.5044234
• Log P: 2.5044234
• Molar Refractivity: 48.0184 cm^3
• Polarizability: 19.605778 Å^3
• Polar Surface Area: 47.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%