N-[(2S)-1-{[1-(4-Fluorophenyl)-1H-Indazol-4-Yl]Amino}-2-Propanyl]-2,4,6-Trimethylbenzenesulfonamide

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Properties Simple | Detailed

Formula C25H27FN4O2S
IUPAC Name n-[(1s)-2-[[1-(4-fluorophenyl)-5h-indazol-1-ium-5-id-4-yl]amino]-1-methyl-ethyl]-2,4,6-trimethyl-benzenesulfonamide
Molecular Mass 466.571 g·mol−1
Heat of Formation -203.6 ± 16.7 kJ·mol−1
Dipole Moment 2.64 ± 1.08 D
Volume 545.69 Å 3
Surface Area 436.61 Å 2
HOMO Energy -8.13 ± 0.55 eV
LUMO Energy -0.58 ± eV
Point Group Symmetry C1
Synonyms
  • n-[(1s)-2-[[1-(4-fluorophenyl)-4-indazolyl]amino]-1-methylethyl]-2,4,6-trimethylbenzenesulfonamide
  • n-[(1s)-2-[[1-(4-fluorophenyl)indazol-4-yl]amino]-1-methyl-ethyl]-2,4,6-trimethyl-benzenesulfonamide
  • n-[(2s)-1-[[1-(4-fluorophenyl)indazol-4-yl]amino]propan-2-yl]-2,4,6-trimethyl-benzenesulfonamide
  • n-[(2s)-1-[[1-(4-fluorophenyl)indazol-4-yl]amino]propan-2-yl]-2,4,6-trimethylbenzenesulfonamide
InChIKey NMWIJNGJMPMFQG-IBGZPJMESA-N
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