N-cyclobutyl-3-[(3-ethoxy-2-hydroxypropyl)sulfamoyl]benzamide

• ChemBase ID: 582593
• Molecular Formular: C16H24N2O5S
• Molecular Mass: 356.43716
• Monoisotopic Mass: 356.14059288
• SMILES: S(=O)(=O)(NCC(O)COCC)c1cc(C(=O)NC2CCC2)ccc1
• Canonical SMILES: CCOCC(CNS(=O)(=O)c1cccc(c1)C(=O)NC1CCC1)O
• InChI: InChI=1S/C16H24N2O5S/c1-2-23-11-14(19)10-17-24(21,22)15-8-3-5-12(9-15)16(20)18-13-6-4-7-13/h3,5,8-9,13-14,17,19H,2,4,6-7,10-11H2,1H3,(H,18,20)
• InChIKey: PNNSKIQINHAPAJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclobutyl-3-[(3-ethoxy-2-hydroxypropyl)sulfamoyl]benzamide
• IUPAC Traditional name: N-cyclobutyl-3-[(3-ethoxy-2-hydroxypropyl)sulfamoyl]benzamide
• Synonyms: N-cyclobutyl-3-{[(3-ethoxy-2-hydroxypropyl)amino]sulfonyl}benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.875555
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): 0.46688336
• LogD (pH = 7.4): 0.4656149
• Log P: 0.46689972
• Molar Refractivity: 90.6545 cm^3
• Polarizability: 35.671104 Å^3
• Polar Surface Area: 104.73 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 3
• Log P: 1.12
• LOG S: -2.75
• Polar Surface Area: 104.73 Å^2
• Rotatable Bonds: 8