4-amino-N-(quinoxalin-2-yl)benzene-1-sulfonamide sodium

• ChemBase ID: 177906
• Molecular Formular: C14H12N4NaO2S
• Molecular Mass: 323.32545
• Monoisotopic Mass: 323.05786593
• SMILES: c1ccc2c(c1)ncc(n2)NS(=O)(=O)c1ccc(cc1)N.[Na]
• Canonical SMILES: Nc1ccc(cc1)S(=O)(=O)Nc1cnc2c(n1)cccc2.[Na]
• InChI: InChI=1S/C14H12N4O2S.Na/c15-10-5-7-11(8-6-10)21(19,20)18-14-9-16-12-3-1-2-4-13(12)17-14;/h1-9H,15H2,(H,17,18)
• InChIKey: UBDSWJJGFQSVLE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-amino-N-(quinoxalin-2-yl)benzene-1-sulfonamide sodium
• IUPAC Traditional name: sulfaquinoxaline sodium
• Synonyms: 4-Amino-N-2-quinoxalinyl-benzenesulfonamide Sodium Salt; Embazin; Noxal; Sulfaquinoxaline Sodium Salt

Database IDs

• CAS Number: 967-80-6
• PubChem SID: 164233816
• PubChem CID: 6331499

CALCULATED PROPERTIES

• Acid pKa: 6.785259
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 1.5326985
• LogD (pH = 7.4): 1.0103456
• Log P: 1.5522752
• Molar Refractivity: 79.2965 cm^3
• Polarizability: 32.05033 Å^3
• Polar Surface Area: 97.97 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: DMSO; Methanol; Water
• Apperance: Pale Yellow Solid
• Melting Point: >296°C (dec.)

Safety Information

• Storage Condition: Refrigerator, Under Inert Atmosphere

DETAILS

Toronto Research Chemicals - S689036

Coccidiostat.

REFERENCES

• Mathis, G.F., et al.: Poult. Sci., 63, 1149 (1984)
• Cassiano, N., et al.: Anal. Bioanal. Chem., 384, 1462 (1984)
• Chung, H., et al.: Food Chem., 113, 297 (1984)