4-methoxypyridine-3-sulfonyl chloride

• ChemBase ID: 815111
• Molecular Formular: C6H6ClNO3S
• Molecular Mass: 207.63474
• Monoisotopic Mass: 206.97569174
• SMILES: n1cc(c(cc1)OC)S(=O)(=O)Cl
• Canonical SMILES: COc1ccncc1S(=O)(=O)Cl
• InChI: InChI=1S/C6H6ClNO3S/c1-11-5-2-3-8-4-6(5)12(7,9)10/h2-4H,1H3
• InChIKey: HZXCJVXFYRJJJR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methoxypyridine-3-sulfonyl chloride
• IUPAC Traditional name: 4-methoxypyridine-3-sulfonyl chloride
• Synonyms: 4-methoxypyridine-3-sulfonyl chloride

Database IDs

• CAS Number: 945257-53-4

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.54402727
• LogD (pH = 7.4): 0.5442029
• Log P: 0.5442051
• Molar Refractivity: 44.5585 cm^3
• Polarizability: 18.137676 Å^3
• Polar Surface Area: 56.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%