N-(2,4-Difluoro-3-{[5-(3-Pyridinyl)-1H-Pyrrolo[2,3-B]Pyridin-3-Yl]Carbonyl}Phenyl)Ethanesulfonamide

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Formula C21H16F2N4O3S
IUPAC Name n-[2,4-difluoro-3-[5-(3-pyridyl)pyrrolo[2,3-b]pyridin-1-ium-3-carbonyl]phenyl]ethanesulfonamide
Molecular Mass 442.439 g·mol−1
Heat of Formation -423.7 ± 16.7 kJ·mol−1
Dipole Moment 7.44 ± 1.08 D
Volume 470.94 Å 3
Surface Area 411.95 Å 2
HOMO Energy -9.41 ± 0.55 eV
LUMO Energy 1.97 ± eV
Point Group Symmetry C1
Synonyms
  • n-[2,4-difluoro-3-[(5-pyridin-3-yl-1h-pyrrolo[5,4-b]pyridin-3-yl)carbonyl]phenyl]ethanesulfonamide
  • n-[2,4-difluoro-3-[5-(3-pyridyl)1h-pyrrolo[5,4-b]pyridine-3-carbonyl]phenyl]ethanesulfonamide
  • n-[2,4-difluoro-3-[oxo-[5-(3-pyridyl)-1h-pyrrolo[5,4-b]pyridin-3-yl]methyl]phenyl]ethanesulfonamide
InChIKey ILXJWLWSYAWJKZ-UHFFFAOYSA-N
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