N-{3-[(5-Chloro-1H-Pyrrolo[2,3-B]Pyridin-3-Yl)Carbonyl]-2,4-Difluorophenyl}-1-Propanesulfonamide

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Properties Simple | Detailed

Formula C17H14ClF2N3O3S
IUPAC Name n-[3-(5-chloropyrrolo[2,3-b]pyridin-1-ium-3-carbonyl)-2,4-difluoro-phenyl]propane-1-sulfonamide
Molecular Mass 413.826 g·mol−1
Heat of Formation -640.3 ± 16.7 kJ·mol−1
Dipole Moment 4.50 ± 1.08 D
Volume 432.56 Å 3
Surface Area 330.16 Å 2
HOMO Energy -9.78 ± 0.55 eV
LUMO Energy 1.75 ± eV
Point Group Symmetry C1
Synonyms
  • n-[3-(5-chloro1h-pyrrolo[5,4-b]pyridine-3-carbonyl)-2,4-difluoro-phenyl]propane-1-sulfonamide
  • n-[3-(5-chloro1h-pyrrolo[5,4-b]pyridine-3-carbonyl)-2,4-difluorophenyl]propane-1-sulfonamide
  • n-[3-[(5-chloro-1h-pyrrolo[5,4-b]pyridin-3-yl)-oxomethyl]-2,4-difluorophenyl]propane-1-sulfonamide
  • n-[3-[(5-chloro-1h-pyrrolo[5,4-b]pyridin-3-yl)carbonyl]-2,4-difluoro-phenyl]propane-1-sulfonamide
InChIKey YZDJQTHVDDOVHR-UHFFFAOYSA-N
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