2-(4-chloro-2-sulfamoylphenoxy)acetamide

• ChemBase ID: 245523
• Molecular Formular: C8H9ClN2O4S
• Molecular Mass: 264.68606
• Monoisotopic Mass: 263.99715546
• SMILES: S(=O)(=O)(c1cc(ccc1OCC(=O)N)Cl)N
• Canonical SMILES: NC(=O)COc1ccc(cc1S(=O)(=O)N)Cl
• InChI: InChI=1S/C8H9ClN2O4S/c9-5-1-2-6(15-4-8(10)12)7(3-5)16(11,13)14/h1-3H,4H2,(H2,10,12)(H2,11,13,14)
• InChIKey: NKBHPMMJFNCREO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-chloro-2-sulfamoylphenoxy)acetamide
• IUPAC Traditional name: 2-(4-chloro-2-sulfamoylphenoxy)acetamide
• Synonyms: 2-(4-chloro-2-sulfamoylphenoxy)acetamide

Database IDs

• MDL Number: MFCD23144083
• PubChem SID: 164301433
• PubChem CID: 71757731

CALCULATED PROPERTIES

• Acid pKa: 8.95942
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.30344287
• LogD (pH = 7.4): -0.3137605
• Log P: -0.30330932
• Molar Refractivity: 57.3907 cm^3
• Polarizability: 23.256628 Å^3
• Polar Surface Area: 112.48 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 214 - 216°C
• Hydrophobicity(logP): -0.56

Product Information

• Purity: 95%