4-methoxy-3-{2-oxo-1-oxa-3,7-diazaspiro[4.5]decane-7-carbonyl}benzene-1-sulfonamide

• ChemBase ID: 634145
• Molecular Formular: C15H19N3O6S
• Molecular Mass: 369.39286
• Monoisotopic Mass: 369.09945634
• SMILES: S(=O)(=O)(c1cc(C(=O)N2CC3(OC(=O)NC3)CCC2)c(cc1)OC)N
• Canonical SMILES: COc1ccc(cc1C(=O)N1CCCC2(C1)CNC(=O)O2)S(=O)(=O)N
• InChI: InChI=1S/C15H19N3O6S/c1-23-12-4-3-10(25(16,21)22)7-11(12)13(19)18-6-2-5-15(9-18)8-17-14(20)24-15/h3-4,7H,2,5-6,8-9H2,1H3,(H,17,20)(H2,16,21,22)
• InChIKey: HHOBNKKAPYATBL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methoxy-3-{2-oxo-1-oxa-3,7-diazaspiro[4.5]decane-7-carbonyl}benzene-1-sulfonamide
• IUPAC Traditional name: 4-methoxy-3-{2-oxo-1-oxa-3,7-diazaspiro[4.5]decane-7-carbonyl}benzenesulfonamide
• Synonyms: 4-methoxy-3-[(2-oxo-1-oxa-3,7-diazaspiro[4.5]dec-7-yl)carbonyl]benzenesulfonamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.224398
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -0.42144734
• LogD (pH = 7.4): -0.42201605
• Log P: -0.42144
• Molar Refractivity: 87.6999 cm^3
• Polarizability: 34.492424 Å^3
• Polar Surface Area: 128.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 2
• Log P: -0.41
• LOG S: -2.85
• Polar Surface Area: 128.03 Å^2
• Rotatable Bonds: 3