N-(2-ethoxyethyl)-3-[methyl(1-methylpyrrolidin-3-yl)sulfamoyl]benzamide

• ChemBase ID: 819073
• Molecular Formular: C17H27N3O4S
• Molecular Mass: 369.47898
• Monoisotopic Mass: 369.17222736
• SMILES: S(=O)(=O)(N(C1CN(CC1)C)C)c1cc(C(=O)NCCOCC)ccc1
• Canonical SMILES: CCOCCNC(=O)c1cccc(c1)S(=O)(=O)N(C1CCN(C1)C)C
• InChI: InChI=1S/C17H27N3O4S/c1-4-24-11-9-18-17(21)14-6-5-7-16(12-14)25(22,23)20(3)15-8-10-19(2)13-15/h5-7,12,15H,4,8-11,13H2,1-3H3,(H,18,21)
• InChIKey: RLCWJYWEYAEOAT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-ethoxyethyl)-3-[methyl(1-methylpyrrolidin-3-yl)sulfamoyl]benzamide
• IUPAC Traditional name: N-(2-ethoxyethyl)-3-[methyl(1-methylpyrrolidin-3-yl)sulfamoyl]benzamide
• Synonyms: N-(2-ethoxyethyl)-3-{[methyl(1-methylpyrrolidin-3-yl)amino]sulfonyl}benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.979984
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -1.5039929
• LogD (pH = 7.4): 0.08346067
• Log P: 0.37762392
• Molar Refractivity: 98.3622 cm^3
• Polarizability: 38.37456 Å^3
• Polar Surface Area: 78.95 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.97
• LOG S: -2.72
• Polar Surface Area: 78.95 Å^2
• Rotatable Bonds: 7