2-(2-aminobenzenesulfonamido)acetamide

• ChemBase ID: 255433
• Molecular Formular: C8H11N3O3S
• Molecular Mass: 229.25624
• Monoisotopic Mass: 229.05211223
• SMILES: S(=O)(=O)(c1c(N)cccc1)NCC(=O)N
• Canonical SMILES: NC(=O)CNS(=O)(=O)c1ccccc1N
• InChI: InChI=1S/C8H11N3O3S/c9-6-3-1-2-4-7(6)15(13,14)11-5-8(10)12/h1-4,11H,5,9H2,(H2,10,12)
• InChIKey: OVPRXADVLRQVQY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-aminobenzenesulfonamido)acetamide
• IUPAC Traditional name: 2-(2-aminobenzenesulfonamido)acetamide
• Synonyms: 2-{[(2-aminophenyl)sulfonyl]amino}acetamide

Database IDs

• MDL Number: MFCD09741264
• PubChem SID: 164311343
• PubChem CID: 16794440

CALCULATED PROPERTIES

• Acid pKa: 10.4936
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -1.354969
• LogD (pH = 7.4): -1.3552431
• Log P: -1.3549327
• Molar Refractivity: 55.7198 cm^3
• Polarizability: 21.731606 Å^3
• Polar Surface Area: 115.28 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.356

Product Information

• Purity: 95%