N-{[4-(cyclobutylmethoxy)phenyl]methyl}-N-cyclopropyl-2-fluorobenzene-1-sulfonamide

• ChemBase ID: 653000
• Molecular Formular: C21H24FNO3S
• Molecular Mass: 389.4835632
• Monoisotopic Mass: 389.14609285
• SMILES: S(=O)(=O)(N(C1CC1)Cc1ccc(OCC2CCC2)cc1)c1c(F)cccc1
• Canonical SMILES: Fc1ccccc1S(=O)(=O)N(C1CC1)Cc1ccc(cc1)OCC1CCC1
• InChI: InChI=1S/C21H24FNO3S/c22-20-6-1-2-7-21(20)27(24,25)23(18-10-11-18)14-16-8-12-19(13-9-16)26-15-17-4-3-5-17/h1-2,6-9,12-13,17-18H,3-5,10-11,14-15H2
• InChIKey: RHHJRKHFMXPSJM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[4-(cyclobutylmethoxy)phenyl]methyl}-N-cyclopropyl-2-fluorobenzene-1-sulfonamide
• IUPAC Traditional name: N-{[4-(cyclobutylmethoxy)phenyl]methyl}-N-cyclopropyl-2-fluorobenzenesulfonamide
• Synonyms: N-[4-(cyclobutylmethoxy)benzyl]-N-cyclopropyl-2-fluorobenzenesulfonamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.426843
• LogD (pH = 7.4): 4.426843
• Log P: 4.426843
• Molar Refractivity: 103.0557 cm^3
• Polarizability: 40.65318 Å^3
• Polar Surface Area: 46.61 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 5.05
• LOG S: -4.3
• Polar Surface Area: 46.61 Å^2
• Rotatable Bonds: 7