N-[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]-4-sulfamoylbenzamide

• ChemBase ID: 330377
• Molecular Formular: C14H19N3O5S
• Molecular Mass: 341.38276
• Monoisotopic Mass: 341.10454172
• SMILES: S(=O)(=O)(c1ccc(C(=O)NC2CC(=O)N(C2)CCOC)cc1)N
• Canonical SMILES: COCCN1CC(CC1=O)NC(=O)c1ccc(cc1)S(=O)(=O)N
• InChI: InChI=1S/C14H19N3O5S/c1-22-7-6-17-9-11(8-13(17)18)16-14(19)10-2-4-12(5-3-10)23(15,20)21/h2-5,11H,6-9H2,1H3,(H,16,19)(H2,15,20,21)
• InChIKey: FIAKQOIGTOTIKO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]-4-sulfamoylbenzamide
• IUPAC Traditional name: N-[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]-4-sulfamoylbenzamide
• Synonyms: 4-(aminosulfonyl)-N-[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.94944
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -1.1497487
• LogD (pH = 7.4): -1.150819
• Log P: -1.1497349
• Molar Refractivity: 83.3353 cm^3
• Polarizability: 32.640472 Å^3
• Polar Surface Area: 118.8 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: -1.29
• LOG S: -1.9
• Polar Surface Area: 118.8 Å^2
• Rotatable Bonds: 6