2-({4-[(5-Chloro-1H-Indol-2-Yl)Sulfonyl]Piperazin-1-Yl}Carbonyl)Thieno[3,2-B]Pyridine 4-Oxide

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Properties Simple | Detailed

Formula C20H17ClN4O4S2
IUPAC Name [4-[(5-chloro-1h-indol-2-yl)sulfonyl]piperazin-1-yl]-(4-oxidothieno[3,2-b]pyridin-4-ium-2-yl)methanone
Molecular Mass 476.956 g·mol−1
Heat of Formation -144.5 ± 16.7 kJ·mol−1
Dipole Moment 5.05 ± 1.08 D
Volume 499.32 Å 3
Surface Area 425.79 Å 2
HOMO Energy -8.86 ± 0.55 eV
LUMO Energy -1.70 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[[4-[(5-chloroindol-2-yl)sulfonyl]piperazin-1-yl] carbonyl]thieno[3,2-b]pyridine n-oxide
  • [4-[(5-chloro-1h-indol-2-yl)sulfonyl]-1-piperazinyl]-(4-oxido-2-thieno[4,5-b]pyridin-4-iumyl)methanone
  • d01
InChIKey DHDQMXPAANQKDC-UHFFFAOYSA-N
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