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

• ChemBase ID: 158301
• Molecular Formular: C14H12N4O2S
• Molecular Mass: 300.33568
• Monoisotopic Mass: 300.06809664
• SMILES: c1ccc2c(c1)ncc(n2)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)benzene-1-sulfonamide
• IUPAC Traditional name: sulfaquinoxaline
• Synonyms: Sulfaquinoxalin; 4-Amino-N-(2-quinoxalinyl)benzenesulfonamide; Sulfaquinoxaline; 4-amino-N-quinoxalin-2-ylbenzenesulfonamide; 4-Amino-N-2-quinoxalinylbenzenesulfonamide; N1-(2-Quinoxalinyl)sulfanilamide; 2-(p-Sulfanilamido)quinoxaline; 2-Sulfanilamidobenzopyrazine; 2-p-Aminobenzenesulfonamidoquinoxaline; Avicocid; Italquina; Kokozigal; NSC 41805; SQ 40; SQX; Sulfa-Q 20; Sulfabenzpyrazine; Sulfaline; Sulphaquinoxaline; Sulquin; Ursokoxaline; Sulfaquinoxaline; 4-氨基-N-(2-喹噁啉基)苯磺酰胺; 磺胺喹噁啉

Database IDs

• CAS Number: 59-40-5
• EC Number: 200-423-2
• MDL Number: MFCD00055406
• Beilstein Number: 290026
• PubChem SID: 24899150; 162252437; 24869211
• PubChem CID: 5338

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: Water (pH 7)
• Apperance: Yellow Solid
• Melting Point: 247-248°C
• Hydrophobicity(logP): 1.532

Safety Information

• Storage Condition: Refrigerator
• RTECS: WP2100000
• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-42/43
• Safety Statements: 22-36/37-45
• GHS Pictograms: GHS07; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H317-H334
• GHS Precautionary statements: P261-P280-P342 + P311
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves

Product Information

• Purity: 95%
• Grade: analytical standard; PESTANAL®, analytical standard
• Packaging: ampule of 10 mg
• Empirical Formula (Hill Notation): C14H12N4O2S

DETAILS

Sigma Aldrich - 45662

Legal Information
PESTANAL is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH

Toronto Research Chemicals - 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)