4-[(4-hydroxyquinolin-2-yl)methyl]piperazine-1-sulfonamide

• ChemBase ID: 376292
• Molecular Formular: C14H18N4O3S
• Molecular Mass: 322.38272
• Monoisotopic Mass: 322.10996146
• SMILES: S(=O)(=O)(N1CCN(Cc2nc3c(c(c2)O)cccc3)CC1)N
• Canonical SMILES: Oc1cc(CN2CCN(CC2)S(=O)(=O)N)nc2c1cccc2
• InChI: InChI=1S/C14H18N4O3S/c15-22(20,21)18-7-5-17(6-8-18)10-11-9-14(19)12-3-1-2-4-13(12)16-11/h1-4,9H,5-8,10H2,(H,16,19)(H2,15,20,21)
• InChIKey: GVIONWLUAKNAAZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(4-hydroxyquinolin-2-yl)methyl]piperazine-1-sulfonamide
• IUPAC Traditional name: 4-[(4-hydroxyquinolin-2-yl)methyl]piperazine-1-sulfonamide
• Synonyms: 4-[(4-hydroxyquinolin-2-yl)methyl]piperazine-1-sulfonamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.004264
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): -0.12612416
• LogD (pH = 7.4): -0.039163534
• Log P: -0.036797866
• Molar Refractivity: 82.6777 cm^3
• Polarizability: 34.38501 Å^3
• Polar Surface Area: 99.76 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: -0.08
• LOG S: -1.78
• Polar Surface Area: 99.76 Å^2
• Rotatable Bonds: 2