2-chloro-6-methoxypyridine-3-sulfonyl chloride

• ChemBase ID: 53944
• Molecular Formular: C6H5Cl2NO3S
• Molecular Mass: 242.0798
• Monoisotopic Mass: 240.93671939
• SMILES: c1c(nc(c(c1)S(=O)(=O)Cl)Cl)OC
• Canonical SMILES: COc1ccc(c(n1)Cl)S(=O)(=O)Cl
• InChI: InChI=1S/C6H5Cl2NO3S/c1-12-5-3-2-4(6(7)9-5)13(8,10)11/h2-3H,1H3
• InChIKey: LPPWUEOVWSLMTH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-6-methoxypyridine-3-sulfonyl chloride
• IUPAC Traditional name: 2-chloro-6-methoxypyridine-3-sulfonyl chloride
• Synonyms: 2-Chloro-6-methoxy-pyridine-3-sulfonyl chloride

Database IDs

• MDL Number: MFCD15142789
• PubChem SID: 162058707
• PubChem CID: 55280432

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.9628845
• LogD (pH = 7.4): 1.9628845
• Log P: 1.9628845
• Molar Refractivity: 50.7381 cm^3
• Polarizability: 20.202467 Å^3
• Polar Surface Area: 56.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%