2-amino-N-(4-sulfamoylphenyl)acetamide

• ChemBase ID: 123856
• Molecular Formular: C8H11N3O3S
• Molecular Mass: 229.25624
• Monoisotopic Mass: 229.05211223
• SMILES: S(=O)(=O)(c1ccc(NC(=O)CN)cc1)N
• Canonical SMILES: NCC(=O)Nc1ccc(cc1)S(=O)(=O)N
• InChI: InChI=1S/C8H11N3O3S/c9-5-8(12)11-6-1-3-7(4-2-6)15(10,13)14/h1-4H,5,9H2,(H,11,12)(H2,10,13,14)
• InChIKey: GKUMCOCKSWWEHM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-(4-sulfamoylphenyl)acetamide
• IUPAC Traditional name: 2-amino-N-(4-sulfamoylphenyl)acetamide
• Synonyms: 2-amino-N-(4-sulfamoylphenyl)acetamide

Database IDs

• PubChem SID: 162218209
• PubChem CID: 10633163

CALCULATED PROPERTIES

• Acid pKa: 10.271867
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -3.479964
• LogD (pH = 7.4): -1.7860451
• Log P: -1.1071429
• Molar Refractivity: 56.4386 cm^3
• Polarizability: 22.080559 Å^3
• Polar Surface Area: 115.28 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true