7-[(3,4-difluorophenyl)methyl]-N,N-dimethyl-6-oxo-2,7-diazaspiro[4.5]decane-2-sulfonamide

• ChemBase ID: 709516
• Molecular Formular: C17H23F2N3O3S
• Molecular Mass: 387.4446264
• Monoisotopic Mass: 387.14281905
• SMILES: S(=O)(=O)(N1CC2(C(=O)N(Cc3cc(c(cc3)F)F)CCC2)CC1)N(C)C
• Canonical SMILES: O=C1N(CCCC21CCN(C2)S(=O)(=O)N(C)C)Cc1ccc(c(c1)F)F
• InChI: InChI=1S/C17H23F2N3O3S/c1-20(2)26(24,25)22-9-7-17(12-22)6-3-8-21(16(17)23)11-13-4-5-14(18)15(19)10-13/h4-5,10H,3,6-9,11-12H2,1-2H3
• InChIKey: VNKOXACDERDTBX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-[(3,4-difluorophenyl)methyl]-N,N-dimethyl-6-oxo-2,7-diazaspiro[4.5]decane-2-sulfonamide
• IUPAC Traditional name: 7-[(3,4-difluorophenyl)methyl]-N,N-dimethyl-6-oxo-2,7-diazaspiro[4.5]decane-2-sulfonamide
• Synonyms: 7-(3,4-difluorobenzyl)-N,N-dimethyl-6-oxo-2,7-diazaspiro[4.5]decane-2-sulfonamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.8651849
• LogD (pH = 7.4): 0.86518633
• Log P: 0.8651864
• Molar Refractivity: 94.0867 cm^3
• Polarizability: 36.656063 Å^3
• Polar Surface Area: 60.93 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.24
• LOG S: -3.33
• Polar Surface Area: 60.93 Å^2
• Rotatable Bonds: 2