3-fluoropyridine-4-sulfonyl chloride

• ChemBase ID: 815006
• Molecular Formular: C5H3ClFNO2S
• Molecular Mass: 195.5992232
• Monoisotopic Mass: 194.95570524
• SMILES: n1cc(c(cc1)S(=O)(=O)Cl)F
• Canonical SMILES: Fc1cnccc1S(=O)(=O)Cl
• InChI: InChI=1S/C5H3ClFNO2S/c6-11(9,10)5-1-2-8-3-4(5)7/h1-3H
• InChIKey: JPSWDCLSCYOSMB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1060802-50-7

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.8445782
• LogD (pH = 7.4): 0.8445783
• Log P: 0.8445783
• Molar Refractivity: 38.3117 cm^3
• Polarizability: 15.421602 Å^3
• Polar Surface Area: 47.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%