2-chloro-N-[5-(diethylsulfamoyl)-2-(propan-2-yloxy)phenyl]acetamide

• ChemBase ID: 251611
• Molecular Formular: C15H23ClN2O4S
• Molecular Mass: 362.87212
• Monoisotopic Mass: 362.10670591
• SMILES: S(=O)(=O)(c1cc(NC(=O)CCl)c(OC(C)C)cc1)N(CC)CC
• Canonical SMILES: CCN(S(=O)(=O)c1ccc(c(c1)NC(=O)CCl)OC(C)C)CC
• InChI: InChI=1S/C15H23ClN2O4S/c1-5-18(6-2)23(20,21)12-7-8-14(22-11(3)4)13(9-12)17-15(19)10-16/h7-9,11H,5-6,10H2,1-4H3,(H,17,19)
• InChIKey: KBSQGGBPBXNYDC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-[5-(diethylsulfamoyl)-2-(propan-2-yloxy)phenyl]acetamide
• IUPAC Traditional name: 2-chloro-N-[5-(diethylsulfamoyl)-2-isopropoxyphenyl]acetamide
• Synonyms: 2-chloro-N-{5-[(diethylamino)sulfonyl]-2-isopropoxyphenyl}acetamide

Database IDs

• MDL Number: MFCD09971329
• PubChem SID: 164307521
• PubChem CID: 25323244

CALCULATED PROPERTIES

• Acid pKa: 11.704346
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.1310103
• LogD (pH = 7.4): 2.13099
• Log P: 2.1310105
• Molar Refractivity: 92.7533 cm^3
• Polarizability: 35.952583 Å^3
• Polar Surface Area: 75.71 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 223 - 226°C
• Hydrophobicity(logP): 2.784

Product Information

• Purity: 95%