BENZOIC ACID, 2-SULFAMOYL-, METHYL ESTER

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Also known as: 57683-71-3, Methyl 2-sulfamoylbenzoate, 2-carbomethoxybenzenesulfonamide, (2-methoxycarbonyl)benzene sulfonamide, Methyl o-sulphamoylbenzoate, 2-sulfamoylbenzoic acid methyl ester

Molecular Formula

C₈H₉NO₄S

Molecular Weight

215.23 g/mol

InChI Key

VSOOBQALJVLTBH-UHFFFAOYSA-N

1 2D Structure

CAS 57683-71-3

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

methyl 2-sulfamoylbenzoate

2.1.2 InChI

InChI=1S/C8H9NO4S/c1-13-8(10)6-4-2-3-5-7(6)14(9,11)12/h2-5H,1H3,(H2,9,11,12)

2.1.3 InChI Key

VSOOBQALJVLTBH-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COC(=O)C1=CC=CC=C1S(=O)(=O)N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 57683-71-3

2. Methyl 2-sulfamoylbenzoate

3. 2-carbomethoxybenzenesulfonamide

4. (2-methoxycarbonyl)benzene Sulfonamide

5. Methyl O-sulphamoylbenzoate

6. 2-sulfamoylbenzoic Acid Methyl Ester

7. Benzoic Acid, 2-(aminosulfonyl)-, Methyl Ester

8. 2-aminosulfonyl-benzoic Acid Methyl Ester

9. Mfcd00009808

10. Benzoic Acid, 2-sulfamoyl-, Methyl Ester

11. Chembl148680

12. Chebi:83512

13. 2-methoxycarbonylphenylsulfonamide

14. 2-methoxycarbonylbenzenesulfonamide

15. 2-(aminosulfonyl)benzoic Acid Methyl Ester

16. Methyl2-sulfamoylbenzoate

17. Einecs 260-903-2

18. Brn 2728611

19. 2-(carbomethoxy)benzenesulfonamide; 2-(methoxycarbonyl)benzenesulfonamide; Methyl 2-(aminosulfonyl)benzoate; Methyl O-sulfamoylbenzoate;

20. Propoxycarbazone Tp1

21. 2-(methoxycarbonyl)benzenesulphonamide

22. 2-sulfamoyl-benzoic Acid Methyl Ester

23. Metsulfuron-methyl Tp1

24. Methyl 2-sulfonamidobenzoate

25. Oprea1_417687

26. 0-11-00-00377 (beilstein Handbook Reference)

27. Methyl2-(aminosulfonyl)benzoate

28. Schembl2181057

29. Dtxsid9074062

30. Bdbm12152

31. Ester Sulfonamide (in-d5803)

32. 2-carbomethoxybenzene Sulphonamide

33. 2-sulfamylbenzoic Acid Methylester

34. Methyl 2-(aminosulfonyl)-benzoate

35. Hms1755g08

36. 2-carboxymethylbenzenesulfonamide 5

37. Amy19487

38. Str09073

39. 2-(methoxycarbonyl)benzenesulfonamide

40. Bbl004027

41. Stk325194

42. Akos001048774

43. 2-sulfonamidobenzoic Acid Methyl Ester

44. Cs-w014895

45. Sb76772

46. Methyl 2-(aminosulfonyl)benzoate, 98%

47. Methyl-2-(aminosulfonyl)benzoate

48. Pd180721

49. Sy048501

50. M05 (mkh 651 Sulfonamide Methyl Ester)

51. Db-053082

52. A8216

53. M1866

54. Ns00005199

55. En300-15722

56. W18655

57. A831553

58. J-521857

59. Q27156899

60. Z45415592

61. Methyl 2-sulfamoylbenzoate;methyl 2-(aminosulfonyl)benzoate

2.3 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₈H₉NO₄S
Molecular Weight	215.23 g/mol
XLogP3	0.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	94.8
Heavy Atom Count	14
Formal Charge	0
Complexity	306
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

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