ethyl N-[2-(4-sulfamoylphenyl)ethyl]carbamate

• ChemBase ID: 160486
• Molecular Formular: C11H16N2O4S
• Molecular Mass: 272.32074
• Monoisotopic Mass: 272.083078
• SMILES: C(=O)(NCCc1ccc(cc1)S(=O)(=O)N)OCC
• Canonical SMILES: CCOC(=O)NCCc1ccc(cc1)S(=O)(=O)N
• InChI: InChI=1S/C11H16N2O4S/c1-2-17-11(14)13-8-7-9-3-5-10(6-4-9)18(12,15)16/h3-6H,2,7-8H2,1H3,(H,13,14)(H2,12,15,16)
• InChIKey: ZOZIYFMAJSPBLQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl N-[2-(4-sulfamoylphenyl)ethyl]carbamate
• IUPAC Traditional name: ethyl N-[2-(4-sulfamoylphenyl)ethyl]carbamate
• Synonyms: [2-[4-(Aminosulfonyl)phenyl]ethyl]carbamic Acid Ethyl Ester

Database IDs

• CAS Number: 192118-08-4
• PubChem SID: 162254621
• PubChem CID: 5298608

CALCULATED PROPERTIES

• Acid pKa: 10.223797
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.7886447
• LogD (pH = 7.4): 0.7880751
• Log P: 0.78865194
• Molar Refractivity: 67.2603 cm^3
• Polarizability: 26.78101 Å^3
• Polar Surface Area: 98.49 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

DETAILS

Toronto Research Chemicals - A629490

Glipizide (G410225) impurity.