4-[2-(3-methoxypropyl)piperidine-1-carbonyl]benzene-1-sulfonamide

• ChemBase ID: 697781
• Molecular Formular: C16H24N2O4S
• Molecular Mass: 340.43776
• Monoisotopic Mass: 340.14567826
• SMILES: S(=O)(=O)(c1ccc(C(=O)N2C(CCCOC)CCCC2)cc1)N
• Canonical SMILES: COCCCC1CCCCN1C(=O)c1ccc(cc1)S(=O)(=O)N
• InChI: InChI=1S/C16H24N2O4S/c1-22-12-4-6-14-5-2-3-11-18(14)16(19)13-7-9-15(10-8-13)23(17,20)21/h7-10,14H,2-6,11-12H2,1H3,(H2,17,20,21)
• InChIKey: RAVQFDODBLATRH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[2-(3-methoxypropyl)piperidine-1-carbonyl]benzene-1-sulfonamide
• IUPAC Traditional name: 4-[2-(3-methoxypropyl)piperidine-1-carbonyl]benzenesulfonamide
• Synonyms: 4-{[2-(3-methoxypropyl)-1-piperidinyl]carbonyl}benzenesulfonamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.942895
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.3177351
• LogD (pH = 7.4): 1.3166486
• Log P: 1.3177491
• Molar Refractivity: 89.4534 cm^3
• Polarizability: 35.012188 Å^3
• Polar Surface Area: 89.7 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.35
• LOG S: -3.29
• Polar Surface Area: 89.7 Å^2
• Rotatable Bonds: 6