2-[(3,5-difluorophenyl)methyl]-N,N-dimethyl-3-oxo-2,8-diazaspiro[4.5]decane-8-sulfonamide

• ChemBase ID: 521055
• Molecular Formular: C17H23F2N3O3S
• Molecular Mass: 387.4446264
• Monoisotopic Mass: 387.14281905
• SMILES: S(=O)(=O)(N1CCC2(CN(C(=O)C2)Cc2cc(cc(c2)F)F)CC1)N(C)C
• Canonical SMILES: Fc1cc(cc(c1)F)CN1CC2(CC1=O)CCN(CC2)S(=O)(=O)N(C)C
• InChI: InChI=1S/C17H23F2N3O3S/c1-20(2)26(24,25)22-5-3-17(4-6-22)10-16(23)21(12-17)11-13-7-14(18)9-15(19)8-13/h7-9H,3-6,10-12H2,1-2H3
• InChIKey: FLEAMVZUWONJHK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(3,5-difluorophenyl)methyl]-N,N-dimethyl-3-oxo-2,8-diazaspiro[4.5]decane-8-sulfonamide
• IUPAC Traditional name: 2-[(3,5-difluorophenyl)methyl]-N,N-dimethyl-3-oxo-2,8-diazaspiro[4.5]decane-8-sulfonamide
• Synonyms: 2-(3,5-difluorobenzyl)-N,N-dimethyl-3-oxo-2,8-diazaspiro[4.5]decane-8-sulfonamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.3532505
• LogD (pH = 7.4): 0.353252
• Log P: 0.35325202
• Molar Refractivity: 94.0349 cm^3
• Polarizability: 36.658096 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: 3
• H Donor: 0
• Log P: 0.32
• LOG S: -3.61
• Polar Surface Area: 60.93 Å^2
• Rotatable Bonds: 2