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

• ChemBase ID: 251766
• Molecular Formular: C16H26ClN3O3S
• Molecular Mass: 375.91394
• Monoisotopic Mass: 375.13834039
• SMILES: S(=O)(=O)(c1cc(c(cc1)N(CC)CC)NC(=O)CCl)N(CC)CC
• Canonical SMILES: ClCC(=O)Nc1cc(ccc1N(CC)CC)S(=O)(=O)N(CC)CC
• InChI: InChI=1S/C16H26ClN3O3S/c1-5-19(6-2)15-10-9-13(11-14(15)18-16(21)12-17)24(22,23)20(7-3)8-4/h9-11H,5-8,12H2,1-4H3,(H,18,21)
• InChIKey: OLYDVOSRTOHPBH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09971330
• PubChem SID: 164307676
• PubChem CID: 25323302

CALCULATED PROPERTIES

• Acid pKa: 12.642816
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.3367934
• LogD (pH = 7.4): 2.336954
• Log P: 2.3369586
• Molar Refractivity: 101.0485 cm^3
• Polarizability: 38.225704 Å^3
• Polar Surface Area: 69.72 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.801

Product Information

• Purity: 95%