CAS 33045-52-2

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4 End Use APIs
3 Related Intermediates

Chemistry

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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

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 Formula	C₉H₁₁NO₅S
Molecular Weight	245.25 g/mol
XLogP3	0.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Exact Mass	245.03579362 g/mol
Monoisotopic Mass	245.03579362 g/mol
Topological Polar Surface Area	104 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	347
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