4-[5-(4-Chlorophenyl)-2-Methyl-3-Propionyl-1H-Pyrrol-1-Yl]Benzenesulfonamide

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Properties Simple | Detailed

Formula C20H19ClN2O3S
IUPAC Name 4-[5-(4-chlorophenyl)-2-methyl-3-propanoyl-pyrrol-1-ium-2-ylium-1-yl]benzenesulfonamide
Molecular Mass 402.894 g·mol−1
Heat of Formation -294.2 ± 16.7 kJ·mol−1
Dipole Moment 3.10 ± 1.08 D
Volume 453.29 Å 3
Surface Area 383.4 Å 2
HOMO Energy -9.07 ± 0.55 eV
LUMO Energy -1.19 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[5-(4-chlorophenyl)-2-methyl-3-(1-oxopropyl)-1-pyrrolyl]benzenesulfonamide
  • 4-[5-(4-chlorophenyl)-2-methyl-3-propanoyl-pyrrol-1-yl]benzenesulfonamide
  • 4-[5-(4-chlorophenyl)-2-methyl-3-propanoylpyrrol-1-yl]benzenesulfonamide
  • 4-[5-(4-chlorophenyl)-2-methyl-3-propionyl-pyrrol-1-yl]benzenesulfonamide
InChIKey ABACVOXFUHDKNZ-UHFFFAOYSA-N
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