1-ethyl-N-(3-methoxypropyl)-N-(1-methylpiperidin-4-yl)-1H-pyrazole-4-sulfonamide

• ChemBase ID: 329150
• Molecular Formular: C15H28N4O3S
• Molecular Mass: 344.47282
• Monoisotopic Mass: 344.18821178
• SMILES: S(=O)(=O)(c1cn(nc1)CC)N(C1CCN(CC1)C)CCCOC
• Canonical SMILES: COCCCN(S(=O)(=O)c1cnn(c1)CC)C1CCN(CC1)C
• InChI: InChI=1S/C15H28N4O3S/c1-4-18-13-15(12-16-18)23(20,21)19(8-5-11-22-3)14-6-9-17(2)10-7-14/h12-14H,4-11H2,1-3H3
• InChIKey: UGXXAWBHSGQNFJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethyl-N-(3-methoxypropyl)-N-(1-methylpiperidin-4-yl)-1H-pyrazole-4-sulfonamide
• IUPAC Traditional name: 1-ethyl-N-(3-methoxypropyl)-N-(1-methylpiperidin-4-yl)pyrazole-4-sulfonamide
• Synonyms: 1-ethyl-N-(3-methoxypropyl)-N-(1-methyl-4-piperidinyl)-1H-pyrazole-4-sulfonamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -2.3038783
• LogD (pH = 7.4): -0.60659415
• Log P: -0.1489129
• Molar Refractivity: 103.0213 cm^3
• Polarizability: 35.96672 Å^3
• Polar Surface Area: 67.67 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.36
• LOG S: -1.86
• Polar Surface Area: 67.67 Å^2
• Rotatable Bonds: 7