CAS 2736-23-4

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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

CAS 2736-23-4

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 Formula	C₇H₅Cl₂NO₄S
Molecular Weight	270.09 g/mol
XLogP3	1.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	106
Heavy Atom Count	15
Formal Charge	0
Complexity	353
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