loader
Please Wait
Applying Filters...
menu
    • menu

    Technical details about 654-62-6, learn more about the structure, uses, toxicity, action, side effects and more

    Client Email Product
    EUROAPI, the leading small molecules API player, provides both API sales & CDMO services.

    Virtual Booth

    Contact Supplier

    Bora Pharmaceuticals- Making success more certain.

    Virtual Booth

    Contact Supplier

    Polfa Tarchomin is a leading Polish pharmaceutical company with 200 year tradition in manufacture and sale of pharmaceutical products.

    Virtual Booth

    Contact Supplier

    Minakem offers CDMO services for API & HPAPI, generics, regulatory expertise, track record performance & FDA & GMP certifications.

    Virtual Booth

    Contact Supplier

    Axplora- The partner of choice for complex APIs.

    Virtual Booth

    Contact Supplier

    Fareva is a one-stop-shop for API/HPAPI, OSD & Sterile products, is USFDA, EMA and PMDA-inspected and has multiple NDA & ANDA filings.

    Virtual Booth

    Contact Supplier

    Menu

    654-62-6

    BUILDING BLOCK

    PharmaCompass
    Xls

    Filters

    clear-filterReset all filters
    2D Structure
    Also known as: 654-62-6, 2,4-disulfamyl-5-trifluoromethylaniline, 2-amino-4-trifluoromethyl-1,5-benzendisulfonamide, 1,3-benzenedisulfonamide, 4-amino-6-(trifluoromethyl)-, C7h8f3n3o4s2, Nsc 44625
    Molecular Formula
    C7H8F3N3O4S2
    Molecular Weight
    319.3  g/mol
    InChI Key
    KRVABEGPNKGLOT-UHFFFAOYSA-N
    FDA UNII
    YBN90877RI
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-amino-6-(trifluoromethyl)benzene-1,3-disulfonamide
    2.1.2 InChI
    InChI=1S/C7H8F3N3O4S2/c8-7(9,10)3-1-4(11)6(19(13,16)17)2-5(3)18(12,14)15/h1-2H,11H2,(H2,12,14,15)(H2,13,16,17)
    2.1.3 InChI Key
    KRVABEGPNKGLOT-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=C(C(=CC(=C1N)S(=O)(=O)N)S(=O)(=O)N)C(F)(F)F
    2.2 Other Identifiers
    2.2.1 UNII
    YBN90877RI
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 2,4-disulfamyl-5-trifluoromethylaniline

    2.3.2 Depositor-Supplied Synonyms

    1. 654-62-6

    2. 2,4-disulfamyl-5-trifluoromethylaniline

    3. 2-amino-4-trifluoromethyl-1,5-benzendisulfonamide

    4. 1,3-benzenedisulfonamide, 4-amino-6-(trifluoromethyl)-

    5. C7h8f3n3o4s2

    6. Nsc 44625

    7. Chembl418

    8. 2-amino-4-trifluoromethyl-1,5-benzenedisulfonamide

    9. Unii-ybn90877ri

    10. 2,4-disulfamoyl-5-trifluoromethylaniline

    11. Ybn90877ri

    12. 5-amino-alpha,alpha,alpha-trifluorotoluene-2,4-disulfonamide

    13. Einecs 211-506-8

    14. Nsc-44625

    15. 2,4-disulfamyltrifluoromethylaniline

    16. 4-amino-6-(trifluoromethyl)-1,3-benzenedisulfonamide

    17. 4-amino-6-(trifluoromethyl)benzene-1,3-disulphonamide

    18. 5-amino-alpha,alpha,alpha-trifluorotoluene-2,4-disulphonamide

    19. 2pow

    20. Bendroflumethiazide Imp. A (ep); 2,4-disulfamyl-5-trifluoromethylaniline; 4-amino-6-(trifluoromethyl)benzene-1,3-disulphonamide; Bendroflumethiazide Impurity A

    21. Mfcd00197629

    22. D0m3po

    23. Bendroflumethiazide Impurity A

    24. Schembl3863705

    25. Bdbm10866

    26. Dtxsid20215710

    27. 1, 4-amino-6-(trifluoromethyl)-

    28. Nsc44625

    29. 3-(p-tolylsulfonyl)propane-1,2-diol

    30. Akos008056442

    31. Aromatic/heteroaromatic Sulfonamide 11

    32. C7-h8-f3-n3-o4-s2

    33. Cs-t-21110

    34. As-69225

    35. Ft-0632762

    36. 1-phenyl-1,2,3-butanetrione2-oxime

    37. En300-20646

    38. D95935

    39. 5-trifluoromethyl-2,4-disulfamoylaniline

    40. A835122

    41. 2-amino-4-trifluoromethyl-1,5-benzenedisulphonamide

    42. 2-amino-4-trifluoromethylbenzene-1,5-disulfonamide

    43. W-104794

    44. Q27294433

    45. 2,4-disulfamyl-5-trifluoromethylaniline [usp-rs]

    46. 4-amino-6-(trifluoromethyl)-benzene-1,3-disulfonamide

    47. Z104479458

    48. 5-amino-.alpha.,.alpha.-trifluorotoluene-2,4-disulfonamide

    49. 2,4-disulfamyl-5-trifluoromethylaniline, United States Pharmacopeia (usp) Reference Standard

    50. 4-amino-6-(trifluoromethyl)benzene-1,3-disulfonamide, Technical, >=96% (hplc)

    51. Bendroflumethiazide Impurity A, European Pharmacopoeia (ep) Reference Standard

    52. Toluene-2,4-disulfonamide, 5-amino-.alpha.,.alpha.,.alpha.-trifluoro-

    53. I7c

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 319.3 g/mol
    Molecular Formula C7H8F3N3O4S2
    XLogP3-0.2
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count10
    Rotatable Bond Count2
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area163
    Heavy Atom Count19
    Formal Charge0
    Complexity533
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1