CAS 121-30-2

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Also known as: 121-30-2, 4-amino-6-chlorobenzene-1,3-disulfonamide, Chloraminophenamide, Idorese, Salmid, Salamid

Molecular Formula

C₆H₈ClN₃O₄S₂

Molecular Weight

285.7 g/mol

InChI Key

IHJCXVZDYSXXFT-UHFFFAOYSA-N

FDA UNII

3A52O8YREJ

1 2D Structure

CAS 121-30-2

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-amino-6-chlorobenzene-1,3-disulfonamide

2.1.2 InChI

InChI=1S/C6H8ClN3O4S2/c7-3-1-4(8)6(16(10,13)14)2-5(3)15(9,11)12/h1-2H,8H2,(H2,9,11,12)(H2,10,13,14)

2.1.3 InChI Key

IHJCXVZDYSXXFT-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=C(C(=CC(=C1Cl)S(=O)(=O)N)S(=O)(=O)N)N

2.2 Other Identifiers

2.2.1 UNII

3A52O8YREJ

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 2-acbds

2. 2-amino-4-chloro-m-benzenedisulfonamide

2.3.2 Depositor-Supplied Synonyms

1. 121-30-2

2. 4-amino-6-chlorobenzene-1,3-disulfonamide

3. Chloraminophenamide

4. Idorese

5. Salmid

6. Salamid

7. Chloroaminophenamide

8. 1,3-benzenedisulfonamide, 4-amino-6-chloro-

9. 3-chloro-4,6-disulfamoylaniline

10. 5-chloro-2,4-disulfamoylaniline

11. 5-chloro-2,4-disulfamylaniline

12. 4-amino-6-chloro-m-benzenedisulfonamide

13. Su 5683

14. 4-amino-6-chlorobenzene-1,3-disulphonamide

15. M-benzenedisulfonamide, 4-amino-6-chloro-

16. 3-chloroaniline-4,6-disulfonamide

17. Mfcd00007933

18. 3a52o8yrej

19. Chebi:3602

20. Chembl266240

21. 4-amino-6-chloro-benzene-1,3-disulfonamide

22. Nsc-93772

23. 2-amino-4-chloro-m-benzenedisulfonamide

24. 1,3-disulfonamide, 4-amino-6-chlorobenzene-

25. 4-amino-6-chlorobenzene-1,3-disulphonamide (salamide)

26. Benzothiadiazine Related Compound A

27. 4-amino-6-chloro-1,3-benzendisulfonamide

28. 1184995-49-0

29. Unii-3a52o8yrej

30. 2pov

31. I7b

32. Einecs 204-463-1

33. Nsc 93772

34. 4-amino-6-chloro-benzene-1,3-disulfonic Acid Diamide

35. 1, 4-amino-6-chloro-

36. Ec 204-463-1

37. Mls006011405

38. Schembl310205

39. Chloraminophenamide [mi]

40. Dtxsid1059521

41. Bdbm10867

42. Ihjcxvzdysxxft-uhfffaoysa-

43. 5-chloro-2,4-disulfamyl Aniline

44. M-chloroaniline-4,6-disulfonamide

45. Albb-025760

46. Bcp24485

47. Nsc93772

48. Zinc1530783

49. Ac-036

50. Ac1883

51. Bbl003489

52. Stk803151

53. 5-chloro-2,4-bis(sulfonamide)aniline

54. Akos000120232

55. Aromatic/heteroaromatic Sulfonamide 12

56. Sb82332

57. Su-5683

58. Altizide Impurity A [ep Impurity]

59. As-12956

60. Smr002530008

61. Sy051012

62. 1-amino-3-chloro-4,6-benzenedisulfonamide

63. 4-amino-6-chlorobenzene-1-3-disulfonamide

64. Cs-0075543

65. Ft-0617536

66. Ft-0661667

67. 5(3)-chloroaniline-2,4(4,6)-disulfonamide

68. 2-amino-4-chloro-5-sulfamoylbenzenesulfonamide

69. C07460

70. 1-amino-5-chloro-2,4-benzenedisulfonamide

71. 4-amino-6-chloro-1,3-benzenedisulfonamide, 98%

72. 4-amino-6-chloro-1,3-benzenedisulfonamide-[d6]

73. A804710

74. Sr-01000944745

75. Benzothiadiazine Related Compound A [usp-rs]

76. Hydrochlorothiazide Impurity B [ep Impurity]

77. Sr-01000944745-1

78. W-108458

79. 4-amino-6-chlorobenzen-1,3-disulphonamide(salamide)

80. Q27106146

81. F0001-0341

82. Benzothiadiazine Related Compound A [usp Impurity]

83. 3-chloroaniline-4,6-disulfonamide, 4-amino-6-chlorobenzene-1,3-disulfonamide

84. Benzothiadiazine Related Compound A, United States Pharmacopeia (usp) Reference Standard

85. 4-amino-6-chloro-1,3-benzenedisulfonamide; (benzothiadiazine Related Compound A), Pharmaceutical Secondary Standard; Certified Reference Material

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₆H₈ClN₃O₄S₂
Molecular Weight	285.7 g/mol
XLogP3	-0.5
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	2
Exact Mass	284.9644758 g/mol
Monoisotopic Mass	284.9644758 g/mol
Topological Polar Surface Area	163 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	451
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