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2D Structure
Also known as: 51765-51-6, (2-phenoxy)methylsulfonylaniline, 2-phenoxymethanesulfonanilide, N-(2-phenoxyphenyl)methanesulphonamide, Mls000113923, Nimesulide impurity b
Molecular Formula
C13H13NO3S
Molecular Weight
263.31  g/mol
InChI Key
WSFHNGGYRUTXFN-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
N-(2-phenoxyphenyl)methanesulfonamide
2.1.2 InChI
InChI=1S/C13H13NO3S/c1-18(15,16)14-12-9-5-6-10-13(12)17-11-7-3-2-4-8-11/h2-10,14H,1H3
2.1.3 InChI Key
WSFHNGGYRUTXFN-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CS(=O)(=O)NC1=CC=CC=C1OC2=CC=CC=C2
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 51765-51-6

2. (2-phenoxy)methylsulfonylaniline

3. 2-phenoxymethanesulfonanilide

4. N-(2-phenoxyphenyl)methanesulphonamide

5. Mls000113923

6. Nimesulide Impurity B

7. 2-phenoxymethanesulfoanilide

8. Cambridge Id 7303009

9. 2'phenoxymethanesulfonanilide

10. Oprea1_424323

11. Schembl8719438

12. Chembl1550604

13. Dtxsid40966070

14. Hms2186j19

15. Zinc383567

16. Bca76551

17. Einecs 257-399-1

18. Mfcd03389778

19. Stk422003

20. Akos003273323

21. Nimesulide Impurity-b (ep/bp)

22. N-[2-(phenoxy)phenyl]methanesulfonamide

23. As-15109

24. Smr000109813

25. Cs-0150121

26. A871194

27. Ao-548/13411005

28. Sr-01000258076

29. Q-200315

30. Sr-01000258076-1

2.3 Create Date
2005-07-09
3 Chemical and Physical Properties
Molecular Weight 263.31 g/mol
Molecular Formula C13H13NO3S
XLogP32.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass263.06161445 g/mol
Monoisotopic Mass263.06161445 g/mol
Topological Polar Surface Area63.8 Ų
Heavy Atom Count18
Formal Charge0
Complexity344
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1