CAS 150727-06-3

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Also known as: 150727-06-3, N-[6-chloro-5-(2-methoxyphenoxy)[2,2'-bipyrimidin]-4-yl]-4-(1,1-dimethylethyl)-benzenesulfonamide, 6zb6rg7bmx, 4-tert-butyl-n-[6-chloro-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]benzenesulfonamide, Unii-6zb6rg7bmx, N-[6-chloro-5-(2-methoxyphenoxy)-(2,2-bipyrimidine)4-4-yl]-(1,1-dimethylethyl)-benzenesulfonamide

Molecular Formula

C₂₅H₂₄ClN₅O₄S

Molecular Weight

526.0 g/mol

InChI Key

XKISWHVJIZSPSC-UHFFFAOYSA-N

FDA UNII

6ZB6RG7BMX

1 2D Structure

CAS 150727-06-3

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-tert-butyl-N-[6-chloro-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]benzenesulfonamide

2.1.2 InChI

InChI=1S/C25H24ClN5O4S/c1-25(2,3)16-10-12-17(13-11-16)36(32,33)31-22-20(35-19-9-6-5-8-18(19)34-4)21(26)29-24(30-22)23-27-14-7-15-28-23/h5-15H,1-4H3,(H,29,30,31)

2.1.3 InChI Key

XKISWHVJIZSPSC-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=NC(=N2)C3=NC=CC=N3)Cl)OC4=CC=CC=C4OC

2.2 Other Identifiers

2.2.1 UNII

6ZB6RG7BMX

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 150727-06-3

2. N-[6-chloro-5-(2-methoxyphenoxy)[2,2'-bipyrimidin]-4-yl]-4-(1,1-dimethylethyl)-benzenesulfonamide

3. 6zb6rg7bmx

4. 4-tert-butyl-n-[6-chloro-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]benzenesulfonamide

5. Unii-6zb6rg7bmx

6. N-[6-chloro-5-(2-methoxyphenoxy)-(2,2-bipyrimidine)4-4-yl]-(1,1-dimethylethyl)-benzenesulfonamide

7. Mfcd09751194

8. 4-tert-butyl-n-(6-chloro-5-(2-methoxyphenoxy)-2,2-bipyrimidin-4-yl)benzenesulfonamide

9. N-[6-chloro-5-(2-methoxyphenoxy)[2,2'-bipyrimidin]-4-yl]-4-(1,1-dimethylethyl)benzenesulfonamide

10. 4-tert-butyl-n-[6-chloro-5-(2-methoxyphenoxy)-2,2'-bipyrimidin-4-yl]benzenesulfonamide

11. Benzenesulfonamide, N-(6-chloro-5-(2-methoxyphenoxy)(2,2'-bipyrimidin)-4-yl)-4-(1,1-dimethylethyl)-

12. Benzenesulfonamide,n-[6-chloro-5-(2-methoxyphenoxy)[2,2'-bipyrimidin]-4-yl]-4-(1,1-dimethylethyl)-

13. N-(6-chloro-5-(2-methoxyphenoxy)(2,2'-bipyrimidin)-4-yl)-4-(1,1-dimethylethyl)benzenesulfonamide

14. C25h24cln5o4s

15. Chloro Bosentan

16. Benzenesulfonamide, N-[6-chloro-5-(2-methoxyphenoxy)[2,2'-bipyrimidin]-4-yl]-4-(1,1-dimethylethyl)-

17. Schembl617288

18. Dtxsid80456425

19. Amy10915

20. Bcp08843

21. Cs-m1819

22. Akos015966862

23. Ac-4273

24. Cs-o-07399

25. Sb60407

26. As-15861

27. Sy101923

28. Ft-0656619

29. A26242

30. W-205709

31. 4-tert-butyl-n-[6-chloro-5-(2-methoxyphenoxy)-2,2'-bipyrimidine-4-yl]benzenesulfonamide

32. 4- Tert-butyl-n-[6-chloro5-(2-methoxyphenoxy) [2,2]-bipyrimidinyl-4-yl]-benzene Sulfonamide

33. 4-(tert-butyl)-n-[6-chloro-5-(2-methoxyphenoxy)-[2,2 Inverted Exclamation Mark -bipyrimidin]-4-yl]benzenesulfonamide

34. 4-t-butyl-n-[6-chloro-5-(2-methoxyphenoxy)-2-(2-pyrimidinyl)-4-pyrimidinyl]benzenesulfonamide

35. 4-tert-butyl-n-[6-chloro-5-(2-methoxy-phenoxy) -[2,2']bipyrimidinyl-4-yl]-benzenesulfonamide

36. 4-tert-butyl-n-[6-chloro-5-(2-methoxy-phenoxy)-[2,2']bipyrimidinyl-4-yl]-benzenesulfonamide

37. 4-tert-butyl-n-[6-chloro-5-(2-methoxyphenoxy)-2-(2-pyrimidinyl)-pyrimidin-4-yl]-benzenesulfonamide

38. 4-tert-butyl-n-[6-chloro-5-(2-methoxyphenoxy)-2-(pyrimidin-2-yl)pyrimidin-4-yl]benzene-1-sulfonamide1 (n-2)

39. 4-tert-butyl-n-[6-chloro-5-(2-methoxyphenoxy)[2,2'-bipyrimidin]-4-yl]benzene-1-sulfonamide

40. 4-tert.-butyl-n-[6-chloro-5-(o-methoxyphenoxy)-2-(2-pyrimidinyl)-4-pyrimi-dinyl]benzene Sulfonamide

41. 4-tert.-butyl-n-[6-chloro-5-(o-methoxyphenoxy)-2-(2-pyrimidinyl)-4-pyrimidinyl]benzene Sulfonamide

42. 4-tert.-butyl-n-[6-chloro-5-(o-methoxyphenoxy)-2-(2-pyrimidinyl)4-pyrimidinyl]benzene Sulfonamide

43. Benzenesulfonamide, N-[6-chloro-5-(2-methoxyphenoxy)[2,2'-bipyrimidin]-4-yl]-4-(1,1-dimethylethyl)

44. Benzenesulfonamide,n-[6-chloro-5-(2-methoxyphenoxy)[2,2'-bipyrimidin]-4-yl]-4-(1,1-dimethylethyl)-(bosentan Intermediate)

45. N-[6-chloro-5-(2-methoxyphenoxy)-[2,2'-bipyrimidin]-4-yl]-4-(1,1-dimethyl-ethyl)-benzenesulfonamide

46. N-[6-chloro-5-(2-methoxyphenoxy)-[2,2'-bipyrimidin]-4-yl]-4-(1,1-dimethylethyl)benzenesulfonamide

47. N-{6-chloro-2-(2-pyrimidyl)-5-(2-methoxyphenoxy)pyrimidin-4-yl}-4-tert-butylbenzenesulfonamide

48. P-tert-butyl-n-[6-chloro-5-(2-methoxyphenoxy)-2-(2-pyrimidinyl)-4-pyrimidinyl]benzenesulfonamide

2.4 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₂₅H₂₄ClN₅O₄S
Molecular Weight	526.0 g/mol
XLogP3	5.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	8
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	125
Heavy Atom Count	36
Formal Charge	0
Complexity	793
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