CAS 5626-90-4

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Also known as: N,n'-diacetylsulfanilamide, 5626-90-4, 29591-86-4, N-[4-(acetylsulfamoyl)phenyl]acetamide, N-((4-acetamidophenyl)sulfonyl)acetamide, N,n-diacetylsulfanilamide

Molecular Formula

C₁₀H₁₂N₂O₄S

Molecular Weight

256.28 g/mol

InChI Key

YTJJPFRVBNFIBN-UHFFFAOYSA-N

FDA UNII

8C2674GI56

1 2D Structure

CAS 5626-90-4

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-[4-(acetylsulfamoyl)phenyl]acetamide

2.1.2 InChI

InChI=1S/C10H12N2O4S/c1-7(13)11-9-3-5-10(6-4-9)17(15,16)12-8(2)14/h3-6H,1-2H3,(H,11,13)(H,12,14)

2.1.3 InChI Key

YTJJPFRVBNFIBN-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC(=O)C

2.2 Other Identifiers

2.2.1 UNII

8C2674GI56

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. N,n'-diacetylsulfanilamide

2. 5626-90-4

3. 29591-86-4

4. N-[4-(acetylsulfamoyl)phenyl]acetamide

5. N-((4-acetamidophenyl)sulfonyl)acetamide

6. N,n-diacetylsulfanilamide

7. 8c2674gi56

8. Nsc-402278

9. N-((4-(acetylamino)phenyl)sulfonyl)acetamide

10. Acetamide, N-[[4-(acetylamino)phenyl]sulfonyl]-

11. Acetamide, N-((4-(acetylamino)phenyl)sulfonyl)-

12. Einecs 227-067-0

13. Nsc402278

14. Cbmicro_014099

15. Cambridge Id 5215946

16. N1,n4-diacetylsulfanilamide

17. Oprea1_300212

18. N1,n4-diacetyl Sulphanilamide

19. Schembl10992157

20. Unii-8c2674gi56

21. Zinc56457

22. Dtxsid10204810

23. Chebi:185808

24. Smsf0004635

25. Mfcd00008678

26. Akos001296661

27. N-(4-acetamidophenylsulfonyl)acetamide

28. N-[4-(acetylsulamoyl)phenyl]acetamide

29. Cb09446

30. Nsc 402278

31. 4-acetylamino-n-acetylbenzenesulfonamide

32. P-(acetylamino)-n-acetylbenzenesulfonamide

33. Bim-0014114.p001

34. Acetanilide, 4'-(acetylsulfamoyl)-

35. Cs-0212894

36. D1773

37. Ft-0757277

38. N-{4-[(acetylamino)sulfonyl]phenyl}acetamide

39. D89924

40. N-(4-[(acetylamino)sulfonyl]phenyl)acetamide #

41. Acetamide, N,n'-(p-phenylenesulfonyl)bis-

42. Sr-01000198944

43. Sr-01000198944-1

44. Sulfacetamide Sodium Impurity C [ep Impurity]

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₁₂N₂O₄S
Molecular Weight	256.28 g/mol
XLogP3	-1.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	101
Heavy Atom Count	17
Formal Charge	0
Complexity	391
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