2-(5-chloro-2-methoxybenzenesulfonyl)-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 524056
• Molecular Formular: C15H19ClN2O4S
• Molecular Mass: 358.84036
• Monoisotopic Mass: 358.07540578
• SMILES: S(=O)(=O)(c1cc(ccc1OC)Cl)N1CC2(C(=O)NCCC2)CC1
• Canonical SMILES: COc1ccc(cc1S(=O)(=O)N1CCC2(C1)CCCNC2=O)Cl
• InChI: InChI=1S/C15H19ClN2O4S/c1-22-12-4-3-11(16)9-13(12)23(20,21)18-8-6-15(10-18)5-2-7-17-14(15)19/h3-4,9H,2,5-8,10H2,1H3,(H,17,19)
• InChIKey: URQBKFZJAFFGOG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(5-chloro-2-methoxybenzenesulfonyl)-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 2-(5-chloro-2-methoxybenzenesulfonyl)-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 2-[(5-chloro-2-methoxyphenyl)sulfonyl]-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.947343
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.201235
• LogD (pH = 7.4): 1.201234
• Log P: 1.201235
• Molar Refractivity: 86.9935 cm^3
• Polarizability: 34.58567 Å^3
• Polar Surface Area: 75.71 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.55
• LOG S: -3.14
• Polar Surface Area: 75.71 Å^2
• Rotatable Bonds: 2