CAS 221615-75-4

Athena Pharmaceutiques is a Partner of Choice for Drug Delivery & Life Cycle Management.

Virtual Booth

Contact Supplier

Kikkoman Biochemifa Company advances global health and safety through precision-driven innovation in biotech and food testing.

CHEMISTRY

Discover Molecule Insights

BUILDING BLOCK

16 Suppliers, 16 End Use APIs, 41 Related Intermediates

16 Suppliers
16 End Use APIs
41 Related Intermediates

Chemistry

Click the arrow to open the dropdown

Click the button for full data set

Also known as: 221615-75-4, 1-(6-methylpyridin-3-yl)-2-(4-methylsulfonylphenyl)ethanone, 1-(6-methylpyridin-3-yl)-2-[4-(methylsulfonyl)phenyl]ethanone, 2-(4-methanesulfonyl-phenyl)-1-(6-methyl-pyridin-3-yl)-ethanone, 2-(4-mesylphenyl)-1-(6-methylpyridin-3-yl)- ethan-1-one, Rcyjmcpv68

Molecular Formula

C₁₅H₁₅NO₃S

Molecular Weight

289.4 g/mol

InChI Key

YBFHILNBYXCJKD-UHFFFAOYSA-N

FDA UNII

RCYJMCPV68

1 2D Structure

CAS 221615-75-4

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-(6-methylpyridin-3-yl)-2-(4-methylsulfonylphenyl)ethanone

2.1.2 InChI

InChI=1S/C15H15NO3S/c1-11-3-6-13(10-16-11)15(17)9-12-4-7-14(8-5-12)20(2,18)19/h3-8,10H,9H2,1-2H3

2.1.3 InChI Key

YBFHILNBYXCJKD-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=NC=C(C=C1)C(=O)CC2=CC=C(C=C2)S(=O)(=O)C

2.2 Other Identifiers

2.2.1 UNII

RCYJMCPV68

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 221615-75-4

2. 1-(6-methylpyridin-3-yl)-2-(4-methylsulfonylphenyl)ethanone

3. 1-(6-methylpyridin-3-yl)-2-[4-(methylsulfonyl)phenyl]ethanone

4. 2-(4-methanesulfonyl-phenyl)-1-(6-methyl-pyridin-3-yl)-ethanone

5. 2-(4-mesylphenyl)-1-(6-methylpyridin-3-yl)- Ethan-1-one

6. Rcyjmcpv68

7. Ethanone, 1-(6-methyl-3-pyridinyl)-2-[4-(methylsulfonyl)phenyl]-

8. Ketosulfone

9. 1-(6-methyl-3-pyridinyl)-2-[4-(methylsulfonyl)phenyl]ethanone

10. (ethanone,1-(6-methyl-3-pyridinyl)-2-[4-(methylsulfonyl)phenyl]- )

11. Ethanone, 1-(6-methyl-3-pyridinyl)-2-(4-(methylsulfonyl)phenyl)-

12. Etoricoxib Impurity D

13. 3-(4-mesylphenylacetyl)-6-methylpyridine

14. Unii-rcyjmcpv68

15. Ec 606-942-4

16. Schembl322719

17. Amy401

18. Dtxsid90432937

19. 1-(6-methylpyridine-3-yl)-2-((4-methylsulfonyl)phenyl)ethanone

20. Bcp10864

21. Cs-b0765

22. Wia61575

23. 1-(6-methylpyridin-3-yl)-2-(4-(methylsulfonyl)phenyl)ethan-1-one

24. 2-[4-(methanesulfonyl)phenyl]-1-(6-methylpyridin-3-yl)ethan-1-one

25. Mfcd11110696

26. Zinc34031531

27. Akos016011204

28. Ds-6392

29. Ac-25856

30. Ft-0698037

31. 2-(4-mesylphenyl)-1-(6-methylpyridin-3-yl)ethan-1-one

32. 1-(6-methyl-3-pyridinyl)-2-[4-(methylsulfonyl)phenyl]-ethanone

33. 2-(4-mesylphenyl)-1-(6-methylpyridin-3-yl)-ethan-1-one

2.4 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₁₅H₁₅NO₃S
Molecular Weight	289.4 g/mol
XLogP3	1.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	289.07726451 g/mol
Monoisotopic Mass	289.07726451 g/mol
Topological Polar Surface Area	72.5 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	433
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