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CHEMISTRY
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ACTIVE PHARMA INGREDIENTS

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Chemistry

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Also known as: Sulfazol, 515-59-3, 4-amino-n-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide, Benzenesulfonamide, 4-amino-n-(4-methyl-2-thiazolyl)-, R12oz3o07f, Sulfazole

Molecular Formula

C₁₀H₁₁N₃O₂S₂

Molecular Weight

269.3 g/mol

InChI Key

KJVQYDYPDFFJMP-UHFFFAOYSA-N

FDA UNII

R12OZ3O07F

1 2D Structure

Sulfamethylthiazole

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-amino-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide

2.1.2 InChI

InChI=1S/C10H11N3O2S2/c1-7-6-16-10(12-7)13-17(14,15)9-4-2-8(11)3-5-9/h2-6H,11H2,1H3,(H,12,13)

2.1.3 InChI Key

KJVQYDYPDFFJMP-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=CSC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N

2.2 Other Identifiers

2.2.1 UNII

R12OZ3O07F

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. Sulfazol

2. 515-59-3

3. 4-amino-n-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide

4. Benzenesulfonamide, 4-amino-n-(4-methyl-2-thiazolyl)-

5. R12oz3o07f

6. Sulfazole

7. Neodiseptal

8. Novoseptale

9. Staphylamid

10. Ultraseptal

11. Ultraseptyl

12. Toriseptin M

13. Aseptil 2

14. Ciba 3753

15. M. And B. 838

16. 4-methyl-2-sulfanilamidothiazole

17. N'1-(4-methylthiazol-2-yl)sulphanilamide

18. Einecs 208-203-8

19. Rp 146

20. Unii-r12oz3o07f

21. N(sup 1)-(4-methyl-2-thiazolyl)sulfanilamide

22. 4-amino-n-(4-methyl-2-thiazolyl)benzenesulfonamide

23. Oprea1_680043

24. Sulfanilamide, N(sup 1)-(4-methyl-2-thiazolyl)-

25. Schembl564521

26. Sulfamethylthiazole [mi]

27. Dtxsid80199481

28. Chebi:135107

29. Sulfamethylthiazole [who-dd]

30. Akos000161168

31. Ft-0701305

32. Q1684286

33. 4-amino-n-(4-methyl-2-thiazole)benzenesulfonamide

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₁₁N₃O₂S₂
Molecular Weight	269.3 g/mol
XLogP3	0.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Exact Mass	269.02926895 g/mol
Monoisotopic Mass	269.02926895 g/mol
Topological Polar Surface Area	122 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	347
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1