4-amino-N-(quinoxalin-2-yl)(2H4)benzene-1-sulfonamide

• ChemBase ID: 177907
• Molecular Formular: C14H12N4O2S
• Molecular Mass: 300.33568
• Monoisotopic Mass: 300.06809664
• SMILES: c1ccc2c(c1)nc(cn2)NS(=O)(=O)c1ccc(cc1)N
• Canonical SMILES: Nc1ccc(cc1)S(=O)(=O)Nc1cnc2c(n1)cccc2
• InChI: InChI=1S/C14H12N4O2S/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: NHZLNPMOSADWGC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-amino-N-(quinoxalin-2-yl)(^2H₄)benzene-1-sulfonamide
• IUPAC Traditional name: 4-amino-N-(quinoxalin-2-yl)(^2H₄)benzenesulfonamide
• Synonyms: 4-Amino-N-2-quinoxalinylbenzenesulfonamide-d4; N1-(2-Quinoxalinyl)sulfanilamide-d4; 2-(p-Sulfanilamido)quinoxaline-d4; 2-Sulfanilamidobenzopyrazine-d4; 2-p-Aminobenzenesulfonamidoquinoxaline-d4; Avicocid-d4; Italquina-d4; Kokozigal-d4; NSC 41805-d4; SQ 40-d4; SQX-d4; Sulfa-Q 20-d4; Sulfabenzpyrazine-d4; Sulfaline-d4; Sulphaquinoxaline-d4; Sulquin-d4; Ursokoxaline-d4; Sulfaquinoxaline-d4

Database IDs

• PubChem SID: 164233817
• PubChem CID: 71752254

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: 32.075615 Å^3
• Polar Surface Area: 97.97 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

DETAILS

Toronto Research Chemicals - S689037

Labelled Sulfaquinoxaline (S689035). 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)