N-(3,5-dimethyl-4-sulfamoylphenyl)acetamide

• ChemBase ID: 256880
• Molecular Formular: C10H14N2O3S
• Molecular Mass: 242.29476
• Monoisotopic Mass: 242.07251332
• SMILES: S(=O)(=O)(c1c(cc(NC(=O)C)cc1C)C)N
• Canonical SMILES: CC(=O)Nc1cc(C)c(c(c1)C)S(=O)(=O)N
• InChI: InChI=1S/C10H14N2O3S/c1-6-4-9(12-8(3)13)5-7(2)10(6)16(11,14)15/h4-5H,1-3H3,(H,12,13)(H2,11,14,15)
• InChIKey: KCWCQNUBAIGCQM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3,5-dimethyl-4-sulfamoylphenyl)acetamide
• IUPAC Traditional name: N-(3,5-dimethyl-4-sulfamoylphenyl)acetamide
• Synonyms: N-[4-(aminosulfonyl)-3,5-dimethylphenyl]acetamide

Database IDs

• MDL Number: MFCD11099507
• PubChem SID: 164312790
• PubChem CID: 12757691

CALCULATED PROPERTIES

• Log P: 0.84382975
• Molar Refractivity: 63.1613 cm^3
• Polarizability: 24.063702 Å^3
• Polar Surface Area: 89.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• Acid pKa: 10.690424
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.84382725
• LogD (pH = 7.4): 0.84363264

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.644

Product Information

• Purity: 95%