4-[(2-hydroxyethyl)sulfamoyl]-N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide

• ChemBase ID: 325975
• Molecular Formular: C14H18N4O5S
• Molecular Mass: 354.38152
• Monoisotopic Mass: 354.0997907
• SMILES: S(=O)(=O)(c1ccc(C(=O)N(Cc2nc(no2)C)C)cc1)NCCO
• Canonical SMILES: OCCNS(=O)(=O)c1ccc(cc1)C(=O)N(Cc1onc(n1)C)C
• InChI: InChI=1S/C14H18N4O5S/c1-10-16-13(23-17-10)9-18(2)14(20)11-3-5-12(6-4-11)24(21,22)15-7-8-19/h3-6,15,19H,7-9H2,1-2H3
• InChIKey: SCIXJJHPUZRSHU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(2-hydroxyethyl)sulfamoyl]-N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
• IUPAC Traditional name: 4-[(2-hydroxyethyl)sulfamoyl]-N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
• Synonyms: 4-{[(2-hydroxyethyl)amino]sulfonyl}-N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.883434
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): -0.33928686
• LogD (pH = 7.4): -0.34057194
• Log P: -0.33927038
• Molar Refractivity: 87.4568 cm^3
• Polarizability: 33.077885 Å^3
• Polar Surface Area: 125.63 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 2
• Log P: -1.29
• LOG S: -1.99
• Polar Surface Area: 125.63 Å^2
• Rotatable Bonds: 6