N-benzyl[(2,2,6,6-tetramethylpiperidin-4-yl)amino]sulfonamide

• ChemBase ID: 789182
• Molecular Formular: C16H27N3O2S
• Molecular Mass: 325.46948
• Monoisotopic Mass: 325.18239812
• SMILES: S(=O)(=O)(NC1CC(NC(C1)(C)C)(C)C)NCc1ccccc1
• Canonical SMILES: CC1(C)CC(CC(N1)(C)C)NS(=O)(=O)NCc1ccccc1
• InChI: InChI=1S/C16H27N3O2S/c1-15(2)10-14(11-16(3,4)19-15)18-22(20,21)17-12-13-8-6-5-7-9-13/h5-9,14,17-19H,10-12H2,1-4H3
• InChIKey: UXWYQTTTXDJUFZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl[(2,2,6,6-tetramethylpiperidin-4-yl)amino]sulfonamide
• IUPAC Traditional name: N-benzyl[(2,2,6,6-tetramethylpiperidin-4-yl)amino]sulfonamide
• Synonyms: N-benzyl-N'-(2,2,6,6-tetramethylpiperidin-4-yl)sulfamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.058065
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -2.011806
• LogD (pH = 7.4): -1.5252527
• Log P: 0.52322173
• Molar Refractivity: 89.518 cm^3
• Polarizability: 36.37309 Å^3
• Polar Surface Area: 70.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 3
• Log P: 2.91
• LOG S: -3.05
• Polar Surface Area: 70.23 Å^2
• Rotatable Bonds: 3