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

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Properties Simple | Detailed

Formula C21H15N5O3S2
IUPAC Name 4-[(7-oxopyrrolo[2,3-g][1,3]benzothiazol-8-yl)methylamino]-n-(2-pyridyl)benzenesulfonamide
Molecular Mass 449.506 g·mol−1
Heat of Formation 225.7 ± 16.7 kJ·mol−1
Dipole Moment 7.43 ± 1.08 D
Volume 482.14 Å 3
Surface Area 419.24 Å 2
HOMO Energy -8.81 ± 0.55 eV
LUMO Energy -2.88 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[(7-ketopyrrolo[5,4-g][1,3]benzothiazol-8-yl)methylamino]-n-(2-pyridyl)benzenesulfonamide
  • 4-[(7-oxo-7h-thiazolo[5,4-e]indol-8-ylmethyl)-amino]-n-pyridin-2-yl-benzenesulfonamide
  • 4-[(7-oxo-8-pyrrolo[5,4-g][1,3]benzothiazolyl)methylamino]-n-(2-pyridyl)benzenesulfonamide
  • 4-[(7-oxopyrrolo[5,4-g][1,3]benzothiazol-8-yl)methylamino]-n-(2-pyridyl)benzenesulfonamide
  • 4-[(7-oxopyrrolo[5,4-g][1,3]benzothiazol-8-yl)methylamino]-n-pyridin-2-yl-benzenesulfonamide
  • 4-[(7-oxopyrrolo[5,4-g][1,3]benzothiazol-8-yl)methylamino]-n-pyridin-2-ylbenzenesulfonamide
InChIKey MBXKBJLIESPLIK-UHFFFAOYSA-N
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