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2D Structure
Also known as: 2736-23-4, 2,4-dichloro-5-sulfamoyl-benzoic acid, 2,4-dichloro-5-sulphamoylbenzoic acid, 5-(aminosulfonyl)-2,4-dichlorobenzoic acid, 3-sulfamoyl-4,6-dichlorobenzoic acid, Benzoic acid, 5-(aminosulfonyl)-2,4-dichloro-
Molecular Formula
C7H5Cl2NO4S
Molecular Weight
270.09  g/mol
InChI Key
ZSHHRBYVHTVRFK-UHFFFAOYSA-N
FDA UNII
LEG53TF0SN

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2,4-dichloro-5-sulfamoylbenzoic acid
2.1.2 InChI
InChI=1S/C7H5Cl2NO4S/c8-4-2-5(9)6(15(10,13)14)1-3(4)7(11)12/h1-2H,(H,11,12)(H2,10,13,14)
2.1.3 InChI Key
ZSHHRBYVHTVRFK-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=C(C(=CC(=C1S(=O)(=O)N)Cl)Cl)C(=O)O
2.2 Other Identifiers
2.2.1 UNII
LEG53TF0SN
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 5-aminosulfonyl-2,4-dichlorobenzoate

2. M 12325

3. M 12325, Monosodium Salt

4. M-12325

5. Lasamide

2.3.2 Depositor-Supplied Synonyms

1. 2736-23-4

2. 2,4-dichloro-5-sulfamoyl-benzoic Acid

3. 2,4-dichloro-5-sulphamoylbenzoic Acid

4. 5-(aminosulfonyl)-2,4-dichlorobenzoic Acid

5. 3-sulfamoyl-4,6-dichlorobenzoic Acid

6. Benzoic Acid, 5-(aminosulfonyl)-2,4-dichloro-

7. M 12325

8. Benzoic Acid, 2,4-dichloro-5-sulfamoyl-

9. 5-carboxy-2,4-dichlorobenzenesulfonamide

10. 5-aminosulfonyl-2,4-dichlorobenzoic Acid

11. Leg53tf0sn

12. Mfcd00007931

13. Lasamide

14. Leadquest Compound 9

15. Einecs 220-358-3

16. Unii-leg53tf0sn

17. Brn 2219046

18. Furosemide Imp. B (ep); 2,4-dichloro-5-sulphamoylbenzoic Acid; Furosemide Impurity B

19. Ec 220-358-3

20. Oprea1_168593

21. Oprea1_483230

22. Schembl574023

23. Chembl120886

24. Bdbm13075

25. Dtxsid90181791

26. 98%(t)(hplc)

27. Bbl010665

28. Stk298896

29. Akos000143948

30. Am84865

31. Cs-w014032

32. 2,4-dichloro-5-sulfonamidobenzoic Acid

33. Ac-11765

34. As-10817

35. Bp-12719

36. Pd129784

37. Sy049410

38. Db-047210

39. Furosemide Impurity B [ep Impurity]

40. D2541

41. Ns00001312

42. En300-16167

43. D70121

44. Sr-01000537051

45. Sr-01000537051-1

46. W-107116

47. Q27282949

48. Z53021521

49. F1901-0102

50. Inchi=1/c7h5cl2no4s/c8-4-2-5(9)6(15(10,13)14)1-3(4)7(11)12/h1-2h,(h,11,12)(h2,10,13,14

2.4 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 270.09 g/mol
Molecular Formula C7H5Cl2NO4S
XLogP31.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area106
Heavy Atom Count15
Formal Charge0
Complexity353
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1