6-chloro-N-(3,4-difluorophenyl)pyridine-3-sulfonamide

• ChemBase ID: 271535
• Molecular Formular: C11H7ClF2N2O2S
• Molecular Mass: 304.7002864
• Monoisotopic Mass: 303.98848259
• SMILES: S(=O)(=O)(c1cnc(cc1)Cl)Nc1cc(c(cc1)F)F
• Canonical SMILES: Clc1ccc(cn1)S(=O)(=O)Nc1ccc(c(c1)F)F
• InChI: InChI=1S/C11H7ClF2N2O2S/c12-11-4-2-8(6-15-11)19(17,18)16-7-1-3-9(13)10(14)5-7/h1-6,16H
• InChIKey: GVYZLFXVPUVUMS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-N-(3,4-difluorophenyl)pyridine-3-sulfonamide
• IUPAC Traditional name: 6-chloro-N-(3,4-difluorophenyl)pyridine-3-sulfonamide
• Synonyms: 6-chloro-N-(3,4-difluorophenyl)pyridine-3-sulfonamide

Database IDs

• MDL Number: MFCD12443794
• PubChem SID: 164327445
• PubChem CID: 7939070

CALCULATED PROPERTIES

• Acid pKa: 7.113186
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.3436136
• LogD (pH = 7.4): 1.9717896
• Log P: 2.3528645
• Molar Refractivity: 67.0322 cm^3
• Polarizability: 25.831697 Å^3
• Polar Surface Area: 59.06 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 159 - 161°C
• Hydrophobicity(logP): 3.236

Product Information

• Purity: 95%