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2D Structure
Also known as: 963-14-4, 4-amino-n-(6-ethoxypyridazin-3-yl)benzenesulfonamide, N1-(6-ethoxypyridazin-3-yl)sulphanilamide, 4-amino-n-(6-ethoxy-3-pyridazinyl)benzenesulfonamide, 880riw1ded, Cysul
Molecular Formula
C12H14N4O3S
Molecular Weight
294.33  g/mol
InChI Key
FFJIWWBSBCOKLS-UHFFFAOYSA-N
FDA UNII
880RIW1DED

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-amino-N-(6-ethoxypyridazin-3-yl)benzenesulfonamide
2.1.2 InChI
InChI=1S/C12H14N4O3S/c1-2-19-12-8-7-11(14-15-12)16-20(17,18)10-5-3-9(13)4-6-10/h3-8H,2,13H2,1H3,(H,14,16)
2.1.3 InChI Key
FFJIWWBSBCOKLS-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCOC1=NN=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)N
2.2 Other Identifiers
2.2.1 UNII
880RIW1DED
2.3 Synonyms
2.3.1 MeSH Synonyms

1. N-1-(6-ethoxy-3-pyridazinyl)sulfanilamide

2.3.2 Depositor-Supplied Synonyms

1. 963-14-4

2. 4-amino-n-(6-ethoxypyridazin-3-yl)benzenesulfonamide

3. N1-(6-ethoxypyridazin-3-yl)sulphanilamide

4. 4-amino-n-(6-ethoxy-3-pyridazinyl)benzenesulfonamide

5. 880riw1ded

6. Cysul

7. Ncgc00181916-01

8. Einecs 213-514-7

9. Unii-880riw1ded

10. Brn 0286161

11. N(sup 1)-(6-ethoxy-3-pyridazinyl)sulfanilamide

12. Benzenesulfonamide, 4-amino-n-(6-ethoxy-3-pyridazinyl)-

13. N-1-(6-ethoxy-3-pyridazinyl)sulfanilamide

14. Dsstox_cid_28622

15. Dsstox_rid_82892

16. Dsstox_gsid_48696

17. 5-25-12-00430 (beilstein Handbook Reference)

18. Mls004712060

19. Sulfanilamide, N(sup 1)-(6-ethoxy-3-pyridazinyl)-

20. Schembl2490831

21. Zinc2113

22. 4-amino-n-(6-ethoxy-pyridazin-3-yl)-benzenesulfonamide

23. Chembl3186751

24. Dtxsid4048696

25. Chebi:145407

26. Bcp20391

27. Tox21_113089

28. Akos030254842

29. Db11462

30. 6-ethoxy-3-sulfanilamidopyridazine

31. Cas-963-14-4

32. N1-(6-ethoxy-3-pyridazinyl)sulfanilamide

33. Smr003475021

34. Sulfaethoxypyridazine [green Book]

35. Sulfaethoxypyridazine, Analytical Standard

36. Hy-112586

37. Cs-0047626

38. N(1)-(6-ethoxy-3-pyridazinyl)sulfanilamide

39. N(1)-(6-ethoxypyridazin-3-yl)sulphanilamide

40. Q27269865

41. 4-amino-n-(6-ethoxypyridazin-3-yl)benzene-1-sulfonamide

2.4 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 294.33 g/mol
Molecular Formula C12H14N4O3S
XLogP30.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass294.07866149 g/mol
Monoisotopic Mass294.07866149 g/mol
Topological Polar Surface Area116 Ų
Heavy Atom Count20
Formal Charge0
Complexity390
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1