N-(2-methanesulfonylethyl)-3-[(1-methoxypropan-2-yl)sulfamoyl]benzamide

• ChemBase ID: 475240
• Molecular Formular: C14H22N2O6S2
• Molecular Mass: 378.46428
• Monoisotopic Mass: 378.09192843
• SMILES: S(=O)(=O)(NC(COC)C)c1cc(C(=O)NCCS(=O)(=O)C)ccc1
• Canonical SMILES: COCC(NS(=O)(=O)c1cccc(c1)C(=O)NCCS(=O)(=O)C)C
• InChI: InChI=1S/C14H22N2O6S2/c1-11(10-22-2)16-24(20,21)13-6-4-5-12(9-13)14(17)15-7-8-23(3,18)19/h4-6,9,11,16H,7-8,10H2,1-3H3,(H,15,17)
• InChIKey: SKDZKFUOGYMBED-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-methanesulfonylethyl)-3-[(1-methoxypropan-2-yl)sulfamoyl]benzamide
• IUPAC Traditional name: N-(2-methanesulfonylethyl)-3-[(1-methoxypropan-2-yl)sulfamoyl]benzamide
• Synonyms: 3-{[(2-methoxy-1-methylethyl)amino]sulfonyl}-N-[2-(methylsulfonyl)ethyl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.867527
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): -1.0734556
• LogD (pH = 7.4): -1.0747477
• Log P: -1.0734389
• Molar Refractivity: 90.6174 cm^3
• Polarizability: 36.34432 Å^3
• Polar Surface Area: 118.64 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 2
• Log P: -0.5
• LOG S: -2.84
• Polar Surface Area: 118.64 Å^2
• Rotatable Bonds: 8