Benzenesulfonamide,4-amino-N-(3,4-dimethyl-5-isoxazolyl)-

IARC Cancer Review: Group 3 IMEMDT    IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 7 ,1987,p. 347.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; Human Inadequate Evidence IMEMDT    IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 24 ,1980,p. 275.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; Animal Inadequate Evidence IMEMDT    IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 24 ,1980,p. 275.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) . NCI Carcinogenesis Bioassay (gavage); No Evidence: mouse, rat NCITR*    National Cancer Institute Carcinogenesis Technical Report Series. (Bethesda, MD 20014) No. NCI-CG-TR-138 ,1979. . Reported in EPA TSCA Inventory.

The Sulfisoxazole, also known as 3,4-Dimethyl-5-sulfanilamidoisoxazole, is sulfonamide antibacterial with the formula C₁₁H₁₃N₃O₃S. It belongs to the product category of Endothelin Receptor. Its EINECS registry number is 204-858-9. With the CAS registry number 127-69-5, its IUPAC name is 4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide. It is sometimes given in combination with erythromycin or phenazopyridine. It is used locally in a 4% solution or ointment.

Physical properties of Sulfisoxazole: (1)ACD/LogP: 1.01; (2)ACD/LogD (pH 5.5): 0.92; (3)ACD/LogD (pH 7.4): -0.22; (4)ACD/BCF (pH 5.5): 2.78; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 68.12; (7)ACD/KOC (pH 7.4): 4.98; (8)#H bond acceptors: 6; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.626; (12)Molar Refractivity: 67.07 cm³; (13)Molar Volume: 189.4 cm³; (14)Surface Tension: 66.3 dyne/cm; (15)Density: 1.411 g/cm³; (16)Flash Point: 245.4 °C; (17)Enthalpy of Vaporization: 74.71 kJ/mol; (18)Boiling Point: 482.2 °C at 760 mmHg; (19)Vapour Pressure: 1.86E-09 mmHg at 25°C.

Uses of Sulfisoxazole: it can be used to produce N-salicylidene-sulfanilic acid-(3,4-dimethyl-isoxazol-5-ylamide) by heating. This reaction will need reagents anhydrous sodium acetate, glacial acetic acid and solvent ethanol with reaction time of 4 hours. The yield is about 80%.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)N
(2)InChI: InChI=1S/C11H13N3O3S/c1-7-8(2)13-17-11(7)14-18(15,16)10-5-3-9(12)4-6-10/h3-6,14H,12H2,1-2H3
(3)InChIKey: NHUHCSRWZMLRLA-UHFFFAOYSA-N

The toxicity data is as follows: