N-(furan-3-ylmethyl)-4-[(oxolan-2-ylmethyl)sulfamoyl]benzamide

• ChemBase ID: 694569
• Molecular Formular: C17H20N2O5S
• Molecular Mass: 364.4161
• Monoisotopic Mass: 364.10929275
• SMILES: S(=O)(=O)(NCC1OCCC1)c1ccc(C(=O)NCc2cocc2)cc1
• Canonical SMILES: O=C(c1ccc(cc1)S(=O)(=O)NCC1CCCO1)NCc1ccoc1
• InChI: InChI=1S/C17H20N2O5S/c20-17(18-10-13-7-9-23-12-13)14-3-5-16(6-4-14)25(21,22)19-11-15-2-1-8-24-15/h3-7,9,12,15,19H,1-2,8,10-11H2,(H,18,20)
• InChIKey: FYDPDBBSAMHICT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(furan-3-ylmethyl)-4-[(oxolan-2-ylmethyl)sulfamoyl]benzamide
• IUPAC Traditional name: N-(furan-3-ylmethyl)-4-[(oxolan-2-ylmethyl)sulfamoyl]benzamide
• Synonyms: N-(3-furylmethyl)-4-{[(tetrahydro-2-furanylmethyl)amino]sulfonyl}benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.889529
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.160561
• LogD (pH = 7.4): 1.1593325
• Log P: 1.1605767
• Molar Refractivity: 92.4684 cm^3
• Polarizability: 35.98622 Å^3
• Polar Surface Area: 97.64 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: 1.32
• LOG S: -2.98
• Polar Surface Area: 97.64 Å^2
• Rotatable Bonds: 6