Sulfisoxazole Acetyl
[CAS# 80-74-0]

Identification

• Classification: API >> Synthetic anti-infective drugs >> Sulfonamides and synergists
• Name: Sulfisoxazole Acetyl
• Synonyms: N-(4-Aminophenyl)Sulfonyl-N-(3,4-Dimethylisoxazol-5-Yl)Acetamide; N-(4-Aminophenyl)Sulfonyl-N-(3,4-Dimethyl-5-Isoxazolyl)Acetamide; N-(4-Aminophenyl)Sulfonyl-N-(3,4-Dimethyl-1,2-Oxazol-5-Yl)Ethanamide
• Molecular Formula: C₁₃H₁₅N₃O₄S
• Molecular Weight: 309.34
• CAS Registry Number: 80-74-0
• EINECS: 201-305-3
• SMILES: C2=C([S](N(C1=C(C(=NO1)C)C)C(C)=O)(=O)=O)C=CC(=C2)N
• InChI: 1S/C13H15N3O4S/c1-8-9(2)15-20-13(8)16(10(3)17)21(18,19)12-6-4-11(14)5-7-12/h4-7H,14H2,1-3H3
• InChIKey: JFNWFXVFBDDWCX-UHFFFAOYSA-N

Properties

• Density: 1.396g/cm³ (Cal.)
• Boiling point: 538.137°C at 760 mmHg (Cal.)
• Flash point: 279.255°C (Cal.)

References

• (1): Igor V. Tetko, Vsevolod Yu. Tanchuk, Tamara N. Kasheva, and Alessandro E. P. Villa. Estimation of Aqueous Solubility of Chemical Compounds Using E-State Indices, J. Chem. Inf. Comput. Sci., 2001, 41 (6), pp 1488–1493