ethyl 2-[4-(benzylsulfamoyl)piperazin-1-yl]acetate

• ChemBase ID: 316599
• Molecular Formular: C15H23N3O4S
• Molecular Mass: 341.42582
• Monoisotopic Mass: 341.14092723
• SMILES: S(=O)(=O)(N1CCN(CC(=O)OCC)CC1)NCc1ccccc1
• Canonical SMILES: CCOC(=O)CN1CCN(CC1)S(=O)(=O)NCc1ccccc1
• InChI: InChI=1S/C15H23N3O4S/c1-2-22-15(19)13-17-8-10-18(11-9-17)23(20,21)16-12-14-6-4-3-5-7-14/h3-7,16H,2,8-13H2,1H3
• InChIKey: TYSAKLFYZSBGBO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-[4-(benzylsulfamoyl)piperazin-1-yl]acetate
• IUPAC Traditional name: ethyl 2-[4-(benzylsulfamoyl)piperazin-1-yl]acetate
• Synonyms: ethyl {4-[(benzylamino)sulfonyl]piperazin-1-yl}acetate

CALCULATED PROPERTIES

JChem

• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• Acid pKa: 10.983696
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.21493079
• LogD (pH = 7.4): 0.2316828
• Log P: 0.23200229
• Molar Refractivity: 87.7967 cm^3
• Polarizability: 35.332417 Å^3
• Polar Surface Area: 78.95 Å^2

供应商提供(Chembridge)

• Rotatable Bonds: 6
• H Acceptors: 5
• H Donor: 1
• Log P: 1.23
• LOG S: -1.73
• Polar Surface Area: 78.95 Å^2