3-Chloro-4-[2-Chloro-4-(3,5-Dioxo-4,5-Dihydro-1,2,4-Triazin-2(3H)-Yl)-6-Methylphenoxy]-N-Ethyl-N-Methylbenzenesulfonamide

Molecule SVG Image

Properties Simple | Detailed

Formula C19H18Cl2N4O5S
IUPAC Name 3-chloro-4-[2-chloro-4-(3,5-dioxo-1,2,4-triazin-2-yl)-6-methylphenoxy]-n-ethyl-n-methylbenzenesulfonamide
Molecular Mass 485.341 g·mol−1
Heat of Formation -580.2 ± 16.7 kJ·mol−1
Dipole Moment 6.08 ± 1.08 D
Volume 507.45 Å 3
Surface Area 430.2 Å 2
HOMO Energy -9.48 ± 0.55 eV
LUMO Energy -1.35 ± eV
Point Group Symmetry C1
Synonyms
  • 3-chloro-4-(2-chloro-4-(4,5-dihydro-3,5-dioxo-1,2,4-triazin-2(3h)-yl)-6-methylphenoxy)-n-ethyl-n-methylbenzenesulfonamide
  • 3-chloro-4-[2-chloro-4-(3,5-diketo-1,2,4-triazin-2-yl)-6-methyl-phenoxy]-n-ethyl-n-methyl-benzenesulfonamide
  • 3-chloro-4-[2-chloro-4-(3,5-dioxo-1,2,4-triazin-2-yl)-6-methyl-phenoxy]-n-ethyl-n-methyl-benzenesulfonamide
  • benzenesulfonamide, 3-chloro-4-(2-chloro-4-(4,5-dihydro-3,5-dioxo-1,2,4-triazin-2(3h)-yl)-6-methylphenoxy)-n-ethyl-n-methyl-
  • cp 30542
  • cp-30,542
CAS Number(s)
  • 55369-98-7
InChIKey WPIZTBAPUUCMTF-UHFFFAOYSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C Cl H O N S