N-{1-[bis(4-chlorophenyl)methyl]azetidin-3-yl}-N-(3,5-difluorophenyl)methanesulfonamide

• ChemBase ID: 127192
• Molecular Formular: C23H20Cl2F2N2O2S
• Molecular Mass: 497.3849064
• Monoisotopic Mass: 496.05906069
• SMILES: Fc1cc(cc(F)c1)N(C1CN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1)S(=O)(=O)C
• Canonical SMILES: Clc1ccc(cc1)C(c1ccc(cc1)Cl)N1CC(C1)N(S(=O)(=O)C)c1cc(F)cc(c1)F
• InChI: InChI=1S/C23H20Cl2F2N2O2S/c1-32(30,31)29(21-11-19(26)10-20(27)12-21)22-13-28(14-22)23(15-2-6-17(24)7-3-15)16-4-8-18(25)9-5-16/h2-12,22-23H,13-14H2,1H3
• InChIKey: IQQBRKLVEALROM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{1-[bis(4-chlorophenyl)methyl]azetidin-3-yl}-N-(3,5-difluorophenyl)methanesulfonamide
• IUPAC Traditional name: drinabant
• Synonyms: Drinabant

Database IDs

• CAS Number: 358970-97-5
• PubChem SID: 162221514
• PubChem CID: 10278470
• Chemspider ID: 8453947
• Wikipedia Title: Drinabant

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.389258
• LogD (pH = 7.4): 5.4778986
• Log P: 5.479154
• Molar Refractivity: 122.296 cm^3
• Polarizability: 47.957287 Å^3
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false