N-(1-cycloheptylpiperidin-3-yl)-2-methoxybenzene-1-sulfonamide

• ChemBase ID: 601336
• Molecular Formular: C19H30N2O3S
• Molecular Mass: 366.5181
• Monoisotopic Mass: 366.19771383
• SMILES: S(=O)(=O)(c1c(OC)cccc1)NC1CN(C2CCCCCC2)CCC1
• Canonical SMILES: COc1ccccc1S(=O)(=O)NC1CCCN(C1)C1CCCCCC1
• InChI: InChI=1S/C19H30N2O3S/c1-24-18-12-6-7-13-19(18)25(22,23)20-16-9-8-14-21(15-16)17-10-4-2-3-5-11-17/h6-7,12-13,16-17,20H,2-5,8-11,14-15H2,1H3
• InChIKey: FBDPQHKXOATYKS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-cycloheptylpiperidin-3-yl)-2-methoxybenzene-1-sulfonamide
• IUPAC Traditional name: N-(1-cycloheptylpiperidin-3-yl)-2-methoxybenzenesulfonamide
• Synonyms: N-(1-cycloheptyl-3-piperidinyl)-2-methoxybenzenesulfonamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.669073
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.47079924
• LogD (pH = 7.4): 2.213794
• Log P: 3.1683426
• Molar Refractivity: 100.4213 cm^3
• Polarizability: 40.288128 Å^3
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 4.15
• LOG S: -4.41
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 4