2-(2-chloro-4-fluorobenzenesulfonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 715243
• Molecular Formular: C15H18ClFN2O3S
• Molecular Mass: 360.8314232
• Monoisotopic Mass: 360.07106935
• SMILES: S(=O)(=O)(c1c(cc(cc1)F)Cl)N1CC2(C(=O)N(CCC2)C)CC1
• Canonical SMILES: Fc1ccc(c(c1)Cl)S(=O)(=O)N1CCC2(C1)CCCN(C2=O)C
• InChI: InChI=1S/C15H18ClFN2O3S/c1-18-7-2-5-15(14(18)20)6-8-19(10-15)23(21,22)13-4-3-11(17)9-12(13)16/h3-4,9H,2,5-8,10H2,1H3
• InChIKey: FZUQMOKULNLQFG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-chloro-4-fluorobenzenesulfonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 2-(2-chloro-4-fluorobenzenesulfonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 2-[(2-chloro-4-fluorophenyl)sulfonyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.7252842
• LogD (pH = 7.4): 1.7252843
• Log P: 1.7252843
• Molar Refractivity: 85.6434 cm^3
• Polarizability: 33.655056 Å^3
• Polar Surface Area: 57.69 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.86
• LOG S: -3.42
• Polar Surface Area: 57.69 Å^2
• Rotatable Bonds: 1