2-chloro-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

• ChemBase ID: 229315
• Molecular Formular: C10H13ClN2O3S
• Molecular Mass: 276.73982
• Monoisotopic Mass: 276.03354097
• SMILES: S(=O)(=O)(c1ccc(cc1)CCNC(=O)CCl)N
• Canonical SMILES: ClCC(=O)NCCc1ccc(cc1)S(=O)(=O)N
• InChI: InChI=1S/C10H13ClN2O3S/c11-7-10(14)13-6-5-8-1-3-9(4-2-8)17(12,15)16/h1-4H,5-7H2,(H,13,14)(H2,12,15,16)
• InChIKey: SPHVYECTYHWHJM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
• IUPAC Traditional name: 2-chloro-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
• Synonyms: 2-Chloro-N-[2-(4-sulfamoyl-phenyl)-ethyl]-acetamide

Database IDs

• MDL Number: MFCD02656549
• PubChem SID: 164285225
• PubChem CID: 2404798

CALCULATED PROPERTIES

• Acid pKa: 10.221279
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.34988934
• LogD (pH = 7.4): 0.34931648
• Log P: 0.34989664
• Molar Refractivity: 65.6413 cm^3
• Polarizability: 26.105906 Å^3
• Polar Surface Area: 89.26 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 147 - 149°C
• Hydrophobicity(logP): -0.205

Product Information

• Purity: 95%