1-ethyl-N-[1-(3-phenylpropyl)piperidin-3-yl]-1H-pyrazole-4-sulfonamide

• ChemBase ID: 722806
• Molecular Formular: C19H28N4O2S
• Molecular Mass: 376.51622
• Monoisotopic Mass: 376.19329716
• SMILES: S(=O)(=O)(c1cn(nc1)CC)NC1CN(CCCc2ccccc2)CCC1
• Canonical SMILES: CCn1ncc(c1)S(=O)(=O)NC1CCCN(C1)CCCc1ccccc1
• InChI: InChI=1S/C19H28N4O2S/c1-2-23-16-19(14-20-23)26(24,25)21-18-11-7-13-22(15-18)12-6-10-17-8-4-3-5-9-17/h3-5,8-9,14,16,18,21H,2,6-7,10-13,15H2,1H3
• InChIKey: IKYAHSWRYYZMOQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethyl-N-[1-(3-phenylpropyl)piperidin-3-yl]-1H-pyrazole-4-sulfonamide
• IUPAC Traditional name: 1-ethyl-N-[1-(3-phenylpropyl)piperidin-3-yl]pyrazole-4-sulfonamide
• Synonyms: 1-ethyl-N-[1-(3-phenylpropyl)-3-piperidinyl]-1H-pyrazole-4-sulfonamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.150273
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.2648056
• LogD (pH = 7.4): 1.9856937
• Log P: 2.2944412
• Molar Refractivity: 115.9635 cm^3
• Polarizability: 41.07167 Å^3
• Polar Surface Area: 67.23 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.0
• LOG S: -3.5
• Polar Surface Area: 67.23 Å^2
• Rotatable Bonds: 7