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

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Properties Simple | Detailed

Formula C22H10ClN5O4S
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 475.864 g·mol−1
Heat of Formation 2606.9 ± 16.7 kJ·mol−1
Dipole Moment 14.97 ± 1.08 D
Volume 440.55 Å 3
Surface Area 340.51 Å 2
HOMO Energy -8.81 ± 0.55 eV
LUMO Energy -4.65 ± 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
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Elements S N C O Cl