2-chloro-N-(3-fluorophenyl)pyridine-3-sulfonamide

• ChemBase ID: 272000
• Molecular Formular: C11H8ClFN2O2S
• Molecular Mass: 286.7098232
• Monoisotopic Mass: 285.99790441
• SMILES: S(=O)(=O)(c1c(nccc1)Cl)Nc1cc(F)ccc1
• Canonical SMILES: Fc1cccc(c1)NS(=O)(=O)c1cccnc1Cl
• InChI: InChI=1S/C11H8ClFN2O2S/c12-11-10(5-2-6-14-11)18(16,17)15-9-4-1-3-8(13)7-9/h1-7,15H
• InChIKey: WKGAAUSXIGIQEM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-(3-fluorophenyl)pyridine-3-sulfonamide
• IUPAC Traditional name: 2-chloro-N-(3-fluorophenyl)pyridine-3-sulfonamide
• Synonyms: 2-chloro-N-(3-fluorophenyl)pyridine-3-sulfonamide

Database IDs

• MDL Number: MFCD12636019
• PubChem SID: 164327910
• PubChem CID: 43388257

CALCULATED PROPERTIES

• Acid pKa: 6.4735503
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.1715295
• LogD (pH = 7.4): 1.5279554
• Log P: 2.2101624
• Molar Refractivity: 66.8158 cm^3
• Polarizability: 26.047527 Å^3
• Polar Surface Area: 59.06 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.855

Product Information

• Purity: 95%