N-[3-(oxolan-3-yl)propyl]-4-sulfamoylbenzamide

• ChemBase ID: 677551
• Molecular Formular: C14H20N2O4S
• Molecular Mass: 312.3846
• Monoisotopic Mass: 312.11437813
• SMILES: S(=O)(=O)(c1ccc(C(=O)NCCCC2COCC2)cc1)N
• Canonical SMILES: O=C(c1ccc(cc1)S(=O)(=O)N)NCCCC1COCC1
• InChI: InChI=1S/C14H20N2O4S/c15-21(18,19)13-5-3-12(4-6-13)14(17)16-8-1-2-11-7-9-20-10-11/h3-6,11H,1-2,7-10H2,(H,16,17)(H2,15,18,19)
• InChIKey: BDWJEHBPHNHEKX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(oxolan-3-yl)propyl]-4-sulfamoylbenzamide
• IUPAC Traditional name: N-[3-(oxolan-3-yl)propyl]-4-sulfamoylbenzamide
• Synonyms: 4-(aminosulfonyl)-N-[3-(tetrahydrofuran-3-yl)propyl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.95108
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.5199347
• LogD (pH = 7.4): 0.5188684
• Log P: 0.5199485
• Molar Refractivity: 80.0855 cm^3
• Polarizability: 31.34914 Å^3
• Polar Surface Area: 98.49 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.07
• LOG S: -2.85
• Polar Surface Area: 98.49 Å^2
• Rotatable Bonds: 6