4-ethyl-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazine-1-sulfonamide

• ChemBase ID: 505248
• Molecular Formular: C17H27N3O2S
• Molecular Mass: 337.48018
• Monoisotopic Mass: 337.18239812
• SMILES: S(=O)(=O)(N(C1c2c(CCC1)cccc2)C)N1CCN(CC1)CC
• Canonical SMILES: CCN1CCN(CC1)S(=O)(=O)N(C1CCCc2c1cccc2)C
• InChI: InChI=1S/C17H27N3O2S/c1-3-19-11-13-20(14-12-19)23(21,22)18(2)17-10-6-8-15-7-4-5-9-16(15)17/h4-5,7,9,17H,3,6,8,10-14H2,1-2H3
• InChIKey: YTLNJQGHTGDNHO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-ethyl-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazine-1-sulfonamide
• IUPAC Traditional name: 4-ethyl-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazine-1-sulfonamide
• Synonyms: 4-ethyl-N-methyl-N-(1,2,3,4-tetrahydro-1-naphthalenyl)-1-piperazinesulfonamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.42398086
• LogD (pH = 7.4): 1.7055022
• Log P: 1.820594
• Molar Refractivity: 94.0215 cm^3
• Polarizability: 37.407734 Å^3
• Polar Surface Area: 43.86 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.78
• LOG S: -2.17
• Polar Surface Area: 43.86 Å^2
• Rotatable Bonds: 2