5-Chloro-N-(2-{4-[(N-Cyano-N'-Cyclohexylcarbamimidoyl)Sulfamoyl]Phenyl}Ethyl)-2-Methoxybenzamide

Molecule SVG Image

Properties Simple | Detailed

Formula C24H28ClN5O4S
IUPAC Name (z)-[[[4-[2-[[2-(2-chloroethynyl)-4-hydroxy-but-3-ynoyl]amino]ethynyl]phenyl]sulfonylamino]-(hexa-1,3,5-triynylamino)methylene]-cyano-ammonium
Molecular Mass 518.028 g·mol−1
Heat of Formation -409.2 ± 16.7 kJ·mol−1
Dipole Moment 4.87 ± 1.08 D
Volume 595.36 Å 3
Surface Area 424.55 Å 2
HOMO Energy -9.43 ± 0.55 eV
LUMO Energy 2.19 ± eV
Point Group Symmetry C1
Synonyms
  • 5-chloro-n-[2-[4-[(n-cyano-n'-cyclohexyl-carbamimidoyl)sulfamoyl]phenyl]ethyl]-2-methoxy-benzamide
  • 5-chloro-n-[2-[4-[(n-cyano-n'-cyclohexylcarbamimidoyl)sulfamoyl]phenyl]ethyl]-2-methoxybenzamide
  • 5-chloro-n-[2-[4-[[(cyanoamino)-cyclohexyliminomethyl]sulfamoyl]phenyl]ethyl]-2-methoxybenzamide
InChIKey SONGOQSZBQZMRR-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