N-{4-[(2-hydroxyethyl)sulfamoyl]phenyl}acetamide

• ChemBase ID: 101776
• Molecular Formular: C10H14N2O4S
• Molecular Mass: 258.29416
• Monoisotopic Mass: 258.06742794
• SMILES: S(=O)(=O)(c1ccc(NC(=O)C)cc1)NCCO
• Canonical SMILES: OCCNS(=O)(=O)c1ccc(cc1)NC(=O)C
• InChI: InChI=1S/C10H14N2O4S/c1-8(14)12-9-2-4-10(5-3-9)17(15,16)11-6-7-13/h2-5,11,13H,6-7H2,1H3,(H,12,14)
• InChIKey: VUYBWFBHHFQGDM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{4-[(2-hydroxyethyl)sulfamoyl]phenyl}acetamide
• IUPAC Traditional name: N-{4-[(2-hydroxyethyl)sulfamoyl]phenyl}acetamide
• Synonyms: N-(4-{[(2-hydroxyethyl)amino]sulfonyl}phenyl)acetamide

Database IDs

• CAS Number: 20535-76-6
• MDL Number: MFCD00577458
• PubChem SID: 162088547
• PubChem CID: 2794794

CALCULATED PROPERTIES

• Acid pKa: 10.216285
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -0.64944637
• LogD (pH = 7.4): -0.6500259
• Log P: -0.649439
• Molar Refractivity: 64.2679 cm^3
• Polarizability: 24.876074 Å^3
• Polar Surface Area: 95.5 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%