N-(Tert-Butylcarbamoyl)-2-[(4-Methylphenyl)Amino]-5-Nitrobenzenesulfonamide

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Properties Simple | Detailed

Formula C18H22N4O5S
IUPAC Name 1-tert-butyl-3-[2-(4-methylanilino)-5-nitro-phenyl]sulfonyl-urea
Molecular Mass 406.456 g·mol−1
Heat of Formation -505.4 ± 16.7 kJ·mol−1
Dipole Moment 10.13 ± 1.08 D
Volume 453.82 Å 3
Surface Area 392.33 Å 2
HOMO Energy -8.97 ± 0.55 eV
LUMO Energy -1.01 ± eV
Point Group Symmetry C1
Synonyms
  • 1-tert-butyl-3-[2-[(4-methylphenyl)amino]-5-nitro-phenyl]sulfonyl-urea
  • 1-tert-butyl-3-[2-[(4-methylphenyl)amino]-5-nitrophenyl]sulfonylurea
  • bm-573
  • n-tertbutyl-n'-[2-(4'-methylphenylamino)-5-nitrobenzenesulfo nyl]urea
InChIKey SILRUCMXYIKULW-UHFFFAOYSA-N
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