4-[2-(3,5-difluorophenyl)-1H-imidazol-1-yl]benzene-1-sulfonamide

• ChemBase ID: 724330
• Molecular Formular: C15H11F2N3O2S
• Molecular Mass: 335.3285464
• Monoisotopic Mass: 335.05400405
• SMILES: S(=O)(=O)(c1ccc(n2c(c3cc(cc(c3)F)F)ncc2)cc1)N
• Canonical SMILES: Fc1cc(F)cc(c1)c1nccn1c1ccc(cc1)S(=O)(=O)N
• InChI: InChI=1S/C15H11F2N3O2S/c16-11-7-10(8-12(17)9-11)15-19-5-6-20(15)13-1-3-14(4-2-13)23(18,21)22/h1-9H,(H2,18,21,22)
• InChIKey: OTJKQGVIFYCCCP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[2-(3,5-difluorophenyl)-1H-imidazol-1-yl]benzene-1-sulfonamide
• IUPAC Traditional name: 4-[2-(3,5-difluorophenyl)imidazol-1-yl]benzenesulfonamide
• Synonyms: 4-[2-(3,5-difluorophenyl)-1H-imidazol-1-yl]benzenesulfonamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.800422
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.292185
• LogD (pH = 7.4): 2.6445227
• Log P: 2.6526153
• Molar Refractivity: 101.6987 cm^3
• Polarizability: 32.327175 Å^3
• Polar Surface Area: 77.98 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.7
• LOG S: -3.95
• Polar Surface Area: 77.98 Å^2
• Rotatable Bonds: 3