N-benzyl-4-(6-oxo-1,6-dihydropyridazin-4-yl)piperazine-1-sulfonamide

• ChemBase ID: 734818
• Molecular Formular: C15H19N5O3S
• Molecular Mass: 349.40806
• Monoisotopic Mass: 349.12086049
• SMILES: S(=O)(=O)(N1CCN(c2cc(=O)[nH]nc2)CC1)NCc1ccccc1
• Canonical SMILES: O=c1[nH]ncc(c1)N1CCN(CC1)S(=O)(=O)NCc1ccccc1
• InChI: InChI=1S/C15H19N5O3S/c21-15-10-14(12-16-18-15)19-6-8-20(9-7-19)24(22,23)17-11-13-4-2-1-3-5-13/h1-5,10,12,17H,6-9,11H2,(H,18,21)
• InChIKey: BSUPORINSUPGFQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-4-(6-oxo-1,6-dihydropyridazin-4-yl)piperazine-1-sulfonamide
• IUPAC Traditional name: N-benzyl-4-(6-oxo-1H-pyridazin-4-yl)piperazine-1-sulfonamide
• Synonyms: N-benzyl-4-(6-oxo-1,6-dihydropyridazin-4-yl)piperazine-1-sulfonamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.282898
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): -0.5602099
• LogD (pH = 7.4): -0.5607058
• Log P: -0.5602021
• Molar Refractivity: 91.8614 cm^3
• Polarizability: 35.16312 Å^3
• Polar Surface Area: 94.11 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: -0.12
• LOG S: -2.96
• Polar Surface Area: 98.4 Å^2
• Rotatable Bonds: 3