6-chloro-N-(2,5-difluorophenyl)pyridine-3-sulfonamide

• ChemBase ID: 272306
• Molecular Formular: C11H7ClF2N2O2S
• Molecular Mass: 304.7002864
• Monoisotopic Mass: 303.98848259
• SMILES: S(=O)(=O)(Nc1cc(ccc1F)F)c1cnc(cc1)Cl
• Canonical SMILES: Fc1ccc(c(c1)NS(=O)(=O)c1ccc(nc1)Cl)F
• InChI: InChI=1S/C11H7ClF2N2O2S/c12-11-4-2-8(6-15-11)19(17,18)16-10-5-7(13)1-3-9(10)14/h1-6,16H
• InChIKey: ZVJYWPWLLJDVRX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-N-(2,5-difluorophenyl)pyridine-3-sulfonamide
• IUPAC Traditional name: 6-chloro-N-(2,5-difluorophenyl)pyridine-3-sulfonamide
• Synonyms: 6-chloro-N-(2,5-difluorophenyl)pyridine-3-sulfonamide

Database IDs

• MDL Number: MFCD12549596
• PubChem SID: 164328216
• PubChem CID: 26969852

CALCULATED PROPERTIES

• Acid pKa: 7.8788667
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.35126
• LogD (pH = 7.4): 2.2445004
• Log P: 2.3528645
• Molar Refractivity: 67.0322 cm^3
• Polarizability: 25.83518 Å^3
• Polar Surface Area: 59.06 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.856

Product Information

• Purity: 95%