2-methoxy-N-{2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl}-5-sulfamoylbenzamide

• ChemBase ID: 499931
• Molecular Formular: C13H16N4O6S
• Molecular Mass: 356.35434
• Monoisotopic Mass: 356.07905525
• SMILES: S(=O)(=O)(c1cc(C(=O)NCCOc2nonc2C)c(cc1)OC)N
• Canonical SMILES: COc1ccc(cc1C(=O)NCCOc1nonc1C)S(=O)(=O)N
• InChI: InChI=1S/C13H16N4O6S/c1-8-13(17-23-16-8)22-6-5-15-12(18)10-7-9(24(14,19)20)3-4-11(10)21-2/h3-4,7H,5-6H2,1-2H3,(H,15,18)(H2,14,19,20)
• InChIKey: KRTYUMFKYHRGBA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-N-{2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl}-5-sulfamoylbenzamide
• IUPAC Traditional name: 2-methoxy-N-{2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl}-5-sulfamoylbenzamide
• Synonyms: 5-(aminosulfonyl)-2-methoxy-N-{2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl}benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.233407
• H Acceptors: 7
• H Donor: 2
• LogD (pH = 5.5): -0.5453629
• LogD (pH = 7.4): -0.54591995
• Log P: -0.54535574
• Molar Refractivity: 84.482 cm^3
• Polarizability: 32.06733 Å^3
• Polar Surface Area: 146.64 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 8
• H Donor: 2
• Log P: 0.07
• LOG S: -3.17
• Polar Surface Area: 146.64 Å^2
• Rotatable Bonds: 7