N-cyclopentyl-N-({4-[2-(2-fluorophenyl)ethoxy]phenyl}methyl)ethane-1-sulfonamide

• ChemBase ID: 668936
• Molecular Formular: C22H28FNO3S
• Molecular Mass: 405.5260232
• Monoisotopic Mass: 405.17739298
• SMILES: S(=O)(=O)(N(Cc1ccc(cc1)OCCc1c(F)cccc1)C1CCCC1)CC
• Canonical SMILES: CCS(=O)(=O)N(C1CCCC1)Cc1ccc(cc1)OCCc1ccccc1F
• InChI: InChI=1S/C22H28FNO3S/c1-2-28(25,26)24(20-8-4-5-9-20)17-18-11-13-21(14-12-18)27-16-15-19-7-3-6-10-22(19)23/h3,6-7,10-14,20H,2,4-5,8-9,15-17H2,1H3
• InChIKey: FAAZGDYWEWGAIR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentyl-N-({4-[2-(2-fluorophenyl)ethoxy]phenyl}methyl)ethane-1-sulfonamide
• IUPAC Traditional name: N-cyclopentyl-N-({4-[2-(2-fluorophenyl)ethoxy]phenyl}methyl)ethanesulfonamide
• Synonyms: N-cyclopentyl-N-{4-[2-(2-fluorophenyl)ethoxy]benzyl}ethanesulfonamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.49844
• LogD (pH = 7.4): 4.49844
• Log P: 4.49844
• Molar Refractivity: 109.8057 cm^3
• Polarizability: 43.17449 Å^3
• Polar Surface Area: 46.61 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 5.31
• LOG S: -4.63
• Polar Surface Area: 46.61 Å^2
• Rotatable Bonds: 7