N-benzyl-4-[hydroxy(1-methyl-1H-imidazol-2-yl)methyl]piperidine-1-sulfonamide

• ChemBase ID: 765939
• Molecular Formular: C17H24N4O3S
• Molecular Mass: 364.46246
• Monoisotopic Mass: 364.15691165
• SMILES: S(=O)(=O)(N1CCC(C(c2n(ccn2)C)O)CC1)NCc1ccccc1
• Canonical SMILES: OC(c1nccn1C)C1CCN(CC1)S(=O)(=O)NCc1ccccc1
• InChI: InChI=1S/C17H24N4O3S/c1-20-12-9-18-17(20)16(22)15-7-10-21(11-8-15)25(23,24)19-13-14-5-3-2-4-6-14/h2-6,9,12,15-16,19,22H,7-8,10-11,13H2,1H3
• InChIKey: VIQASIFJYHMWST-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-4-[hydroxy(1-methyl-1H-imidazol-2-yl)methyl]piperidine-1-sulfonamide
• IUPAC Traditional name: N-benzyl-4-[hydroxy(1-methylimidazol-2-yl)methyl]piperidine-1-sulfonamide
• Synonyms: N-benzyl-4-[hydroxy(1-methyl-1H-imidazol-2-yl)methyl]piperidine-1-sulfonamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.996805
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -0.065232866
• LogD (pH = 7.4): 0.28953323
• Log P: 0.29765964
• Molar Refractivity: 96.223 cm^3
• Polarizability: 38.132504 Å^3
• Polar Surface Area: 87.46 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.15
• LOG S: -3.29
• Polar Surface Area: 87.46 Å^2
• Rotatable Bonds: 4