2-fluoro-N-methyl-N-[3-(oxolan-2-yl)propyl]-5-sulfamoylbenzamide

• ChemBase ID: 444032
• Molecular Formular: C15H21FN2O4S
• Molecular Mass: 344.4016432
• Monoisotopic Mass: 344.12060638
• SMILES: S(=O)(=O)(c1cc(C(=O)N(CCCC2OCCC2)C)c(cc1)F)N
• Canonical SMILES: CN(C(=O)c1cc(ccc1F)S(=O)(=O)N)CCCC1CCCO1
• InChI: InChI=1S/C15H21FN2O4S/c1-18(8-2-4-11-5-3-9-22-11)15(19)13-10-12(23(17,20)21)6-7-14(13)16/h6-7,10-11H,2-5,8-9H2,1H3,(H2,17,20,21)
• InChIKey: SGYXFJPBZIUUBR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluoro-N-methyl-N-[3-(oxolan-2-yl)propyl]-5-sulfamoylbenzamide
• IUPAC Traditional name: 2-fluoro-N-methyl-N-[3-(oxolan-2-yl)propyl]-5-sulfamoylbenzamide
• Synonyms: 5-(aminosulfonyl)-2-fluoro-N-methyl-N-[3-(tetrahydro-2-furanyl)propyl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.550013
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.015848
• LogD (pH = 7.4): 1.0131692
• Log P: 1.0158824
• Molar Refractivity: 85.0688 cm^3
• Polarizability: 32.929554 Å^3
• Polar Surface Area: 89.7 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -0.4
• LOG S: -2.68
• Polar Surface Area: 89.7 Å^2
• Rotatable Bonds: 6