3-(3,5-Dibromo-4-Hydroxybenzoyl)-2-Ethyl-N-[4-(1,3-Thiazol-2-Ylsulfamoyl)Phenyl]-1-Benzofuran-6-Sulfonamide

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Properties Simple | Detailed

Formula C26H19Br2N3O7S3
IUPAC Name 3-(3,5-dibromo-4-hydroxy-benzoyl)-2-ethyl-n-[4-(thiazol-2-ylsulfamoyl)phenyl]benzofuran-6-sulfonamide
Molecular Mass 741.448 g·mol−1
Heat of Formation -599.3 ± 16.7 kJ·mol−1
Dipole Moment 3.12 ± 1.08 D
Volume 673.75 Å 3
Surface Area 565.65 Å 2
HOMO Energy -8.82 ± 0.55 eV
LUMO Energy -1.69 ± eV
Point Group Symmetry C1
Synonyms
  • 3-(3,5-dibromo-4-hydroxy-benzoyl)-2-ethyl-benzofuran-6-sulfonic acid [4-(thiazol-2-ylsulfamoyl)-phenyl]-amide
  • 3-(3,5-dibromo-4-hydroxy-benzoyl)-2-ethyl-benzofuran-6-sulfonicacid-(4-(thiazol-2-ylsulfamyl)-phenyl)-amide
  • 3-(3,5-dibromo-4-hydroxy-benzoyl)-2-ethyl-n-[4-(thiazol-2-ylsulfamoyl)phenyl]benzofuran-6-sulfonamide
  • 3-(3,5-dibromo-4-hydroxy-phenyl)carbonyl-2-ethyl-n-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1-benzofuran-6-sulfonamide
  • 3-[(3,5-dibromo-4-hydroxyphenyl)-oxomethyl]-2-ethyl-n-[4-(2-thiazolylsulfamoyl)phenyl]-6-benzofuransulfonamide
  • frj
  • ptp1b inhibitor
InChIKey SXKBTDJJEQQEGE-UHFFFAOYSA-N
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