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2D Structure
Also known as: 10297-73-1, 1-(4-(methylsulfonyl)phenyl)ethanone, 4-methylsulfonylacetophenone, 4-(methylsulfonyl)acetophenone, 1-(4-methylsulfonylphenyl)ethanone, 4-methylsulphonylacetophenone
Molecular Formula
C9H10O3S
Molecular Weight
198.24  g/mol
InChI Key
KAVZYDHKJNABPC-UHFFFAOYSA-N
FDA UNII
9D65F147ZN

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-(4-methylsulfonylphenyl)ethanone
2.1.2 InChI
InChI=1S/C9H10O3S/c1-7(10)8-3-5-9(6-4-8)13(2,11)12/h3-6H,1-2H3
2.1.3 InChI Key
KAVZYDHKJNABPC-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC(=O)C1=CC=C(C=C1)S(=O)(=O)C
2.2 Other Identifiers
2.2.1 UNII
9D65F147ZN
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 10297-73-1

2. 1-(4-(methylsulfonyl)phenyl)ethanone

3. 4-methylsulfonylacetophenone

4. 4-(methylsulfonyl)acetophenone

5. 1-(4-methylsulfonylphenyl)ethanone

6. 4-methylsulphonylacetophenone

7. 4-acetylphenyl Methyl Sulphone

8. 4-(methylsulphonyl)acetophenone

9. P-methylsulfonylacetophenone

10. 1-(4-methanesulfonyl-phenyl)-ethanone

11. Ethanone, 1-[4-(methylsulfonyl)phenyl]-

12. 1-(4-(methylsulphonyl)phenyl)ethan-1-one

13. 1-[4-(methylsulfonyl)phenyl]ethanone

14. 4-methanesulfonylacetophenone

15. 1-[4-(methylsulfonyl)phenyl]-1-ethanone

16. 1-[4-(methylsulfonyl)phenyl]ethan-1-one

17. 9d65f147zn

18. Mfcd00025072

19. Nsc-403928

20. 4-(methyl Sulfonyl) Acetophenone

21. 4'-methylsulfonylacetophenone

22. Unii-9d65f147zn

23. Einecs 233-672-0

24. Nsc403928

25. 1-(4-methanesulfonylphenyl)ethan-1-one

26. 4(methylsulfonyl)acetophenone

27. 4-methylsulfonyl Acetophenone

28. 4-methylsulfonyl-acetophenone

29. Schembl28229

30. 4-acetophenone Methyl Sulfone

31. Chembl41043

32. 4'-methylsulfonyl Acetophenone

33. 4-(methylsulfonyl) Acetophenone

34. 4`-(methylsulfonyl)acetophenone

35. 4'-(methylsulphonyl)acetophenone

36. 4\'-(methylsulfonyl)acetophenone

37. Dtxsid70145593

38. Zinc153497

39. (4-methanesulphonylphenyl)-ethanone

40. Act00997

41. Cs-d1688

42. Etoricoxib Related Compound A

43. P-acetylphenyl Methyl Sulfone

44. Stl166134

45. Akos001081732

46. 4'-(methylsulfonyl)acetophenone, 97%

47. Ab01457

48. Ac-6694

49. Ethanone, 1-(4-methylsulfonylphenyl)-

50. Nsc 403928

51. 1-[4-(methylsulfonyl)phenyl]ethanone #

52. Sy012991

53. Db-040399

54. Am20061182

55. Ft-0616803

56. M1678

57. 1-(4-(methylsulfonyl)phenyl)-ethanone

58. 297m731

59. 9w-0290

60. J-802121

61. W-108861

62. Q27272383

63. 4 Inverted Exclamation Mark -(methylsulfonyl)acetophenone

64. Etoricoxib Related Compound A, United States Pharmacopeia (usp) Reference Standard

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 198.24 g/mol
Molecular Formula C9H10O3S
XLogP30.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area59.6
Heavy Atom Count13
Formal Charge0
Complexity279
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1