N-[2-(furan-2-yl)ethyl]-4-sulfamoylbenzamide

• ChemBase ID: 591775
• Molecular Formular: C13H14N2O4S
• Molecular Mass: 294.32626
• Monoisotopic Mass: 294.06742794
• SMILES: S(=O)(=O)(c1ccc(C(=O)NCCc2occc2)cc1)N
• Canonical SMILES: O=C(c1ccc(cc1)S(=O)(=O)N)NCCc1ccco1
• InChI: InChI=1S/C13H14N2O4S/c14-20(17,18)12-5-3-10(4-6-12)13(16)15-8-7-11-2-1-9-19-11/h1-6,9H,7-8H2,(H,15,16)(H2,14,17,18)
• InChIKey: DJQVODZLNZQDIG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(furan-2-yl)ethyl]-4-sulfamoylbenzamide
• IUPAC Traditional name: N-[2-(furan-2-yl)ethyl]-4-sulfamoylbenzamide
• Synonyms: 4-(aminosulfonyl)-N-[2-(2-furyl)ethyl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.950964
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.4982587
• LogD (pH = 7.4): 0.4971921
• Log P: 0.49827245
• Molar Refractivity: 74.0599 cm^3
• Polarizability: 28.651482 Å^3
• Polar Surface Area: 102.4 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 0.83
• LOG S: -2.85
• Polar Surface Area: 102.4 Å^2
• Rotatable Bonds: 5