CAS 100-90-3

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Also known as: 100-90-3, N-acetyl sulfamethazine, N4-acetylsulfamethazine, N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide, Sulfamethazine-n4-acetyl, N-{4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}acetamide

Molecular Formula

C₁₄H₁₆N₄O₃S

Molecular Weight

320.37 g/mol

InChI Key

LJKAKWDUZRJNPJ-UHFFFAOYSA-N

1 2D Structure

CAS 100-90-3

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide

2.1.2 InChI

InChI=1S/C14H16N4O3S/c1-9-8-10(2)16-14(15-9)18-22(20,21)13-6-4-12(5-7-13)17-11(3)19/h4-8H,1-3H3,(H,17,19)(H,15,16,18)

2.1.3 InChI Key

LJKAKWDUZRJNPJ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C)C

2.2 Synonyms

2.2.1 MeSH Synonyms

1. N4-acetylsulfamethazine

2. Na-smt Cpd

2.2.2 Depositor-Supplied Synonyms

1. 100-90-3

2. N-acetyl Sulfamethazine

3. N4-acetylsulfamethazine

4. N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide

5. Sulfamethazine-n4-acetyl

6. N-{4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}acetamide

7. N-(4-(n-(4,6-dimethylpyrimidin-2-yl)sulfamoyl)phenyl)acetamide

8. Acetamide, N-[4-[[(4,6-dimethyl-2-pyrimidinyl)amino]sulfonyl]phenyl]-

9. N4-acetylsulfadimidine (n4-acetylsulfamethazine)

10. Sulfamethazine-n4-acetyl 100 Microg/ml In Acetonitrile

11. N-(4-(((4,6-dimethyl-2-pyrimidinyl)amino)sulfonyl)phenyl)acetamide

12. N-[4-[[(4,6-dimethyl-2-pyrimidinyl)amino]sulfonyl]phenyl]acetamide

13. N4-acetylsulfadimidine

14. Acetamide, N-(4-(((4,6-dimethyl-2-pyrimidinyl)amino)sulfonyl)phenyl)-

15. N4-acetylsulphamethazine

16. Sulfamethazine, N-acetyl-

17. Oprea1_117280

18. Oprea1_341005

19. Chebi:83457

20. Zinc52440

21. Dtxsid50142848

22. Ccg-52979

23. Stk100511

24. Akos000486009

25. Cs-0335783

26. Ft-0661370

27. J-000256

28. Sr-01000642175-1

29. Brd-k86116994-001-01-2

30. Q27156841

31. 4-acetylamino-n-(4,6-dimethyl-pyrimidin-2-yl)-benzenesulfonamide

32. N~1~-(4-{[(4,6-dimethyl-2-pyrimidinyl)amino]sulfonyl}phenyl)acetamide

2.3 Create Date

2005-07-07

3 Chemical and Physical Properties

Molecular Formula	C₁₄H₁₆N₄O₃S
Molecular Weight	320.37 g/mol
XLogP3	0.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	109
Heavy Atom Count	22
Formal Charge	0
Complexity	473
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