3-Thiophenesulfonamide, N-(4-Chloro-3-Methyl-5-Isoxazolyl)-2-((6-Methyl-1,3-Benzodioxol-5-Yl)Acetyl)-

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Properties Simple | Detailed

Formula C18H15ClN2O6S2
IUPAC Name n-(4-chloro-3-methyl-isoxazol-5-yl)-2-[2-(6-methyl-1,3-benzodioxol-5-yl)acetyl]thiophene-3-sulfonamide
Molecular Mass 454.905 g·mol−1
Heat of Formation -522.3 ± 16.7 kJ·mol−1
Dipole Moment 6.74 ± 1.08 D
Volume 468.86 Å 3
Surface Area 378.27 Å 2
HOMO Energy -8.67 ± 0.55 eV
LUMO Energy -1.65 ± eV
Point Group Symmetry C1
Synonyms
  • ipi 1040
  • n-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-[2-(6-methyl-1,3-benzodioxol-5-yl)acetyl]thiophene-3-sulfonamide
  • n-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-[2-(6-methyl-1,3-benzodioxol-5-yl)ethanoyl]thiophene-3-sulfonamide
  • n-(4-chloro-3-methyl-5-isoxazolyl)-2-((2-methyl-4,5-methylenedioxyphenyl)acetyl)thiophene-3-sulfonamide
  • n-(4-chloro-3-methyl-5-isoxazolyl)-2-((3,4-(methylenedioxy)-6-methylphenyl)acetyl)-3-thiophenesulfonamide
  • n-(4-chloro-3-methyl-5-isoxazolyl)-2-[2-(6-methyl-1,3-benzodioxol-5-yl)-1-oxoethyl]-3-thiophenesulfonamide
  • n-(4-chloro-3-methyl-isoxazol-5-yl)-2-[2-(6-methyl-1,3-benzodioxol-5-yl)acetyl]thiophene-3-sulfonamide
  • sitaxsentan
  • tbc 11251
CAS Number(s)
  • 184036-34-8
  • 210421-64-0
InChIKey PHWXUGHIIBDVKD-UHFFFAOYSA-N
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