4-fluoro-3-{6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl}benzene-1-sulfonamide

• ChemBase ID: 617805
• Molecular Formular: C15H18FN3O4S
• Molecular Mass: 355.3845232
• Monoisotopic Mass: 355.10020529
• SMILES: S(=O)(=O)(c1cc(C(=O)N2CC3(C(=O)NCCC3)CC2)c(cc1)F)N
• Canonical SMILES: O=C1NCCCC21CCN(C2)C(=O)c1cc(ccc1F)S(=O)(=O)N
• InChI: InChI=1S/C15H18FN3O4S/c16-12-3-2-10(24(17,22)23)8-11(12)13(20)19-7-5-15(9-19)4-1-6-18-14(15)21/h2-3,8H,1,4-7,9H2,(H,18,21)(H2,17,22,23)
• InChIKey: PKZMGMIGTKNMSR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-fluoro-3-{6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl}benzene-1-sulfonamide
• IUPAC Traditional name: 4-fluoro-3-{6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl}benzenesulfonamide
• Synonyms: 4-fluoro-3-[(6-oxo-2,7-diazaspiro[4.5]dec-2-yl)carbonyl]benzenesulfonamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.549377
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.25183052
• LogD (pH = 7.4): -0.25451323
• Log P: -0.25179607
• Molar Refractivity: 85.0203 cm^3
• Polarizability: 32.78653 Å^3
• Polar Surface Area: 109.57 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: -2.15
• LOG S: -1.26
• Polar Surface Area: 109.57 Å^2
• Rotatable Bonds: 2