4-{4-[(4-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl}-N,N-dimethylpiperidine-1-sulfonamide

• ChemBase ID: 336193
• Molecular Formular: C17H23FN4O4S
• Molecular Mass: 398.4523232
• Monoisotopic Mass: 398.14240446
• SMILES: S(=O)(=O)(N1CCC(C2(C(=O)NC(=O)N2)Cc2ccc(F)cc2)CC1)N(C)C
• Canonical SMILES: CN(S(=O)(=O)N1CCC(CC1)C1(NC(=O)NC1=O)Cc1ccc(cc1)F)C
• InChI: InChI=1S/C17H23FN4O4S/c1-21(2)27(25,26)22-9-7-13(8-10-22)17(15(23)19-16(24)20-17)11-12-3-5-14(18)6-4-12/h3-6,13H,7-11H2,1-2H3,(H2,19,20,23,24)
• InChIKey: XDYAXEZRJNJIHQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{4-[(4-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl}-N,N-dimethylpiperidine-1-sulfonamide
• IUPAC Traditional name: 4-{4-[(4-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl}-N,N-dimethylpiperidine-1-sulfonamide
• Synonyms: 4-[4-(4-fluorobenzyl)-2,5-dioxoimidazolidin-4-yl]-N,N-dimethylpiperidine-1-sulfonamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.868055
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 0.19414802
• LogD (pH = 7.4): 0.19270892
• Log P: 0.19416776
• Molar Refractivity: 97.0495 cm^3
• Polarizability: 38.19434 Å^3
• Polar Surface Area: 98.82 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.0
• LOG S: -3.42
• Polar Surface Area: 98.82 Å^2
• Rotatable Bonds: 3