2-chloro-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]acetamide

• ChemBase ID: 251641
• Molecular Formular: C14H21ClN2O4S
• Molecular Mass: 348.84554
• Monoisotopic Mass: 348.09105584
• SMILES: S(=O)(=O)(c1cc(NC(=O)CCl)ccc1OCC)N(CC)CC
• Canonical SMILES: CCOc1ccc(cc1S(=O)(=O)N(CC)CC)NC(=O)CCl
• InChI: InChI=1S/C14H21ClN2O4S/c1-4-17(5-2)22(19,20)13-9-11(16-14(18)10-15)7-8-12(13)21-6-3/h7-9H,4-6,10H2,1-3H3,(H,16,18)
• InChIKey: SMKGFFVSELERLZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]acetamide
• IUPAC Traditional name: 2-chloro-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]acetamide
• Synonyms: 2-chloro-N-{3-[(diethylamino)sulfonyl]-4-ethoxyphenyl}acetamide

Database IDs

• MDL Number: MFCD08444142
• PubChem SID: 164307551
• PubChem CID: 16226932

CALCULATED PROPERTIES

• Acid pKa: 13.375864
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.7144355
• LogD (pH = 7.4): 1.7144351
• Log P: 1.7144355
• Molar Refractivity: 88.3345 cm^3
• Polarizability: 34.12603 Å^3
• Polar Surface Area: 75.71 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.585

Product Information

• Purity: 95%