4-{[(E)-(7-Oxo-6,7-Dihydro-8H-[1,3]Thiazolo[5,4-E]Indol-8-Ylidene)Methyl]Amino}-N-(2-Pyridinyl)Benzenesulfonamide

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Properties Simple | Detailed

Formula C21H15N5O3S2
IUPAC Name 4-[[(e)-(7-oxo-6h-pyrrolo[2,3-g][1,3]benzothiazol-8-ylidene)methyl]amino]-n-(2-pyridyl)benzenesulfonamide
Molecular Mass 449.505 g·mol−1
Heat of Formation 42.2 ± 16.7 kJ·mol−1
Dipole Moment 4.41 ± 1.08 D
Volume 478.13 Å 3
Surface Area 414.58 Å 2
HOMO Energy -8.59 ± 0.55 eV
LUMO Energy -1.77 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[[(e)-(7-keto-6h-pyrrolo[5,4-g][1,3]benzothiazol-8-ylidene)methyl]amino]-n-(2-pyridyl)benzenesulfonamide
  • 4-[[(e)-(7-oxo-6h-pyrrolo[5,4-g][1,3]benzothiazol-8-ylidene)methyl]amino]-n-(2-pyridyl)benzenesulfonamide
  • 4-[[(e)-(7-oxo-6h-pyrrolo[5,4-g][1,3]benzothiazol-8-ylidene)methyl]amino]-n-pyridin-2-yl-benzenesulfonamide
  • 4-[[(e)-(7-oxo-6h-pyrrolo[5,4-g][1,3]benzothiazol-8-ylidene)methyl]amino]-n-pyridin-2-ylbenzenesulfonamide
InChIKey GCYXEGSPUDSZJY-RVDMUPIBSA-N
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