4-{[4-(cyclopentyloxy)phenyl]methyl}-N,N-dimethylpiperazine-1-sulfonamide

• ChemBase ID: 328104
• Molecular Formular: C18H29N3O3S
• Molecular Mass: 367.50616
• Monoisotopic Mass: 367.1929628
• SMILES: S(=O)(=O)(N1CCN(CC1)Cc1ccc(OC2CCCC2)cc1)N(C)C
• Canonical SMILES: CN(S(=O)(=O)N1CCN(CC1)Cc1ccc(cc1)OC1CCCC1)C
• InChI: InChI=1S/C18H29N3O3S/c1-19(2)25(22,23)21-13-11-20(12-14-21)15-16-7-9-18(10-8-16)24-17-5-3-4-6-17/h7-10,17H,3-6,11-15H2,1-2H3
• InChIKey: FSHCWMZUYFFEQJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{[4-(cyclopentyloxy)phenyl]methyl}-N,N-dimethylpiperazine-1-sulfonamide
• IUPAC Traditional name: 4-{[4-(cyclopentyloxy)phenyl]methyl}-N,N-dimethylpiperazine-1-sulfonamide
• Synonyms: 4-[4-(cyclopentyloxy)benzyl]-N,N-dimethylpiperazine-1-sulfonamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.0786439
• LogD (pH = 7.4): 1.6563267
• Log P: 1.6720237
• Molar Refractivity: 99.9675 cm^3
• Polarizability: 40.008156 Å^3
• Polar Surface Area: 53.09 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.4
• LOG S: -2.07
• Polar Surface Area: 53.09 Å^2
• Rotatable Bonds: 4