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Also known as: 33045-52-2, Methyl 5-sulfamoyl-o-anisate, Methyl 5-(aminosulfonyl)-2-methoxybenzoate, 2-methoxy-5-sulfamoylbenzoic acid methyl ester, F8xva6kyt6, Benzoic acid, 5-(aminosulfonyl)-2-methoxy-, methyl ester
Molecular Formula
C9H11NO5S
Molecular Weight
245.25  g/mol
InChI Key
MKDYDRQLKPGNNU-UHFFFAOYSA-N
FDA UNII
F8XVA6KYT6

CAS 33045-52-2
1 2D Structure

CAS 33045-52-2

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
methyl 2-methoxy-5-sulfamoylbenzoate
2.1.2 InChI
InChI=1S/C9H11NO5S/c1-14-8-4-3-6(16(10,12)13)5-7(8)9(11)15-2/h3-5H,1-2H3,(H2,10,12,13)
2.1.3 InChI Key
MKDYDRQLKPGNNU-UHFFFAOYSA-N
2.1.4 Canonical SMILES
COC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)OC
2.2 Other Identifiers
2.2.1 UNII
F8XVA6KYT6
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 33045-52-2

2. Methyl 5-sulfamoyl-o-anisate

3. Methyl 5-(aminosulfonyl)-2-methoxybenzoate

4. 2-methoxy-5-sulfamoylbenzoic Acid Methyl Ester

5. F8xva6kyt6

6. Benzoic Acid, 5-(aminosulfonyl)-2-methoxy-, Methyl Ester

7. Mfcd01317542

8. Methyl 2-methoxy-5-sulphamoylbenzoate

9. 5-(aminosulfonyl)-2-methoxy-benzoic Acid Methyl Ester

10. Methyl 5-sulphamoyl-o-anisate

11. Methyl2-methoxy-5-sulfamoylbenzoate

12. 5-aminosulfonyl-2-methoxybenzoic Acid Methyl Ester

13. Einecs 251-358-1

14. Sulpiride Impurity B

15. Sulpiride Ep Impurity B

16. Unii-f8xva6kyt6

17. 2-methoxy-5-sulfamoyl Methyl Benzoate

18. Dsstox_cid_31507

19. Dsstox_rid_97392

20. Dsstox_gsid_57718

21. Schembl330293

22. Chembl3560556

23. Dtxsid4057718

24. Zinc403396

25. Bcp24519

26. Tox21_113746

27. Bbl034810

28. Stl416207

29. Akos005216563

30. Ab08554

31. Cs-w012721

32. Ps-7531

33. Methyl 2-methoxy-5-aminosulfonylbenzoate

34. Ncgc00253616-01

35. 1285987-04-3

36. Sy009661

37. Sulpiride Impurity B [ep Impurity]

38. Cas-33045-52-2

39. Db-048323

40. Methyl 2-methoxy-5-sulfamoylbenzoate, 98%

41. 4-[(2-methyl-1-isopropyl-d6)pentyl]phenol

42. Ft-0639077

43. M1942

44. F17051

45. 2-methoxy-5-sulfamoyl Benzoic Acid Methyl Ester

46. 045m522

47. A821581

48. Sr-01000944812

49. Methyl 5-(aminosulphonyl)-2-methoxybenzoate

50. Sr-01000944812-1

51. W-106794

52. 4-methoxy-3-(methoxycarbonyl)benzenesulfonamide

53. 5-(aminosulfonyl)-2-methoxybenzoic Acid Methyl Ester

54. Z17862399

55. Sulpiride Impurity B, European Pharmacopoeia (ep) Reference Standard

56. Sulpiride Intermediate: Methyl 2-methoxy-5-aminosulfonylbenzoate

57. 1-(1,1,3,4,4-pentamethyltetralin-6-yl)ethanone;methyl 2-methoxy-5-sulfamoylbenzoate

58. Methyl 2-methoxy-5-sulfamoylbenzoate; 4-methoxy-3-(methoxycarbonyl)benzenesulfonamide; 5-(aminosulfonyl)-2-methoxy-benzoic Acid Methyl Ester

2.4 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 245.25 g/mol
Molecular Formula C9H11NO5S
XLogP30.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass245.03579362 g/mol
Monoisotopic Mass245.03579362 g/mol
Topological Polar Surface Area104 Ų
Heavy Atom Count16
Formal Charge0
Complexity347
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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