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

• ChemBase ID: 104659
• Molecular Formular: C14H11N4NaO2S
• Molecular Mass: 322.31751
• Monoisotopic Mass: 322.05004089
• SMILES: Nc1ccc(cc1)S(=O)(=O)N([Na])c1nc2c(cccc2)nc1
• Canonical SMILES: Nc1ccc(cc1)S(=O)(=O)N(c1cnc2c(n1)cccc2)[Na]
• InChI: InChI=1S/C14H11N4O2S.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;/q-1;+1
• InChIKey: WXUQBKOBXREBBX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-amino-N-(quinoxalin-2-yl)-N-sodiobenzene-1-sulfonamide
• IUPAC Traditional name: 4-amino-N-(quinoxalin-2-yl)-N-sodiobenzenesulfonamide
• Synonyms: Sulfaquinoxaline sodium salt; N-(2-Quinoxalinyl)Sulfanilamide Sodium Salt; 2-p-Aminobenzenesulfonamidoquinoxaline Soidum Salt; SULFAQUINOXALINE SODIUM SALT; 磺胺喹噁啉 钠盐

Database IDs

• CAS Number: 59-40-5; 967-80-6
• EC Number: 200-423-2; 213-526-2
• MDL Number: MFCD00799608
• Beilstein Number: 290026
• PubChem SID: 162091910; 24899740
• PubChem CID: 3693427

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.5257756
• LogD (pH = 7.4): 0.52599716
• Log P: 0.526
• Molar Refractivity: 78.4965 cm^3
• Polarizability: 33.700245 Å^3
• Polar Surface Area: 89.18 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: H2O: soluble50 mg/mL, clear to almost clear, dark yellow
• Melting Point: 247-248

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: WP2100000
• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-42/43; R:22
• Safety Statements: 22-36/37-45; S:36/37/39
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H317
• GHS Precautionary statements: P280
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves

Product Information

• Purity: ~95%; ≥99.0% (HPLC)
• Impurities: ≤10% water
• Empirical Formula (Hill Notation): C14H11N4NaO2S

DETAILS

MP Biomedicals - 02156718

Sodium Salt

Sigma Aldrich - S7382

Application
Sulfaquinoxaline is a veterinary medicine used to treat coccidiosis. It is a protective agent against upper respiratory infections of poultry and a prophylactic against coccidiosis1,2.
Biochem/physiol Actions
Sulfaquinoxaline is an ionophorous antibiotic2 that inhibits vitamin K epoxidase (epoxide reductase, menadione epoxide reductase) and quinone reductase.