4-fluoropyridine-2-sulfonyl chloride

• ChemBase ID: 813661
• Molecular Formular: C5H3ClFNO2S
• Molecular Mass: 195.5992232
• Monoisotopic Mass: 194.95570524
• SMILES: n1c(cc(cc1)F)S(=O)(=O)Cl
• Canonical SMILES: Fc1ccnc(c1)S(=O)(=O)Cl
• InChI: InChI=1S/C5H3ClFNO2S/c6-11(9,10)5-3-4(7)1-2-8-5/h1-3H
• InChIKey: MSLOKMZPIDTOAR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1060809-57-5

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.4390359
• LogD (pH = 7.4): 1.4390359
• Log P: 1.4390359
• Molar Refractivity: 38.6252 cm^3
• Polarizability: 15.427694 Å^3
• Polar Surface Area: 47.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%