CAS 1205-30-7

Chemistry

Chemistry

Also known as: 1205-30-7, 4-chloro-5-sulphamoylbenzoic acid, 3-(aminosulfonyl)-4-chlorobenzoic acid, Benzoic acid, 3-(aminosulfonyl)-4-chloro-, 4-chloro-3-sulfamoyl benzoic acid, Sulfamido-3-chlorobenzoic acid

Molecular Formula

C₇H₆ClNO₄S

Molecular Weight

235.65 g/mol

InChI Key

FHQAWINGVCDTTG-UHFFFAOYSA-N

FDA UNII

Q45HDN52UH

1 2D Structure

CAS 1205-30-7

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-chloro-3-sulfamoylbenzoic acid

2.1.2 InChI

InChI=1S/C7H6ClNO4S/c8-5-2-1-4(7(10)11)3-6(5)14(9,12)13/h1-3H,(H,10,11)(H2,9,12,13)

2.1.3 InChI Key

FHQAWINGVCDTTG-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC(=C(C=C1C(=O)O)S(=O)(=O)N)Cl

2.2 Other Identifiers

2.2.1 UNII

Q45HDN52UH

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Sulfamido-3-chlorobenzoic Acid

2.3.2 Depositor-Supplied Synonyms

1. 1205-30-7

2. 4-chloro-5-sulphamoylbenzoic Acid

3. 3-(aminosulfonyl)-4-chlorobenzoic Acid

4. Benzoic Acid, 3-(aminosulfonyl)-4-chloro-

5. 4-chloro-3-sulfamoyl Benzoic Acid

6. Sulfamido-3-chlorobenzoic Acid

7. Benzoic Acid, 4-chloro-3-sulfamoyl-

8. Q45hdn52uh

9. Csba

10. Mfcd00012375

11. 3-sulfamoyl-4-chlorobenzoic Acid

12. 4-chloro-5-sulfamoylbenzoic Acid

13. 4-chloro-3-sulfamoyl-benzoic Acid

14. Einecs 214-882-1

15. Brn 2118346

16. 4-chloro-3-sulfamoylbenzoic Acid; Indapamide Related Compound E; Clopamide Impurity C

17. Unii-q45hdn52uh

18. Oprea1_356117

19. Schembl329732

20. 4-chloro-3-sulfamoylbenzoicacid

21. Dtxsid50152881

22. Chebi:143391

23. Amy30730

24. Stl450972

25. Akos000143596

26. Ccg-239640

27. Cs-w012884

28. 3-sulfamyl-4-chlorobenzoic Acid

29. 4-chloro-3-sulfamoylbenzoic Acid, 98%

30. Ac-10957

31. As-10917

32. Sy049363

33. 3-(aminosulfonyl)-4-chlorobenzoic Acid #

34. Db-041566

35. A1189

36. Ns00015319

37. En300-16166

38. 4-chloro-3-(aminosulfonyl)benzoic Acid

39. D78088

40. A804532

41. W-108474

42. Z53021519

2.4 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₇H₆ClNO₄S
Molecular Weight	235.65 g/mol
XLogP3	0.6
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	14
Formal Charge	0
Complexity	323
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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