3-[({2-[4-(3-Carbamimidoylphenoxy)Butoxy]Phenyl}Carbamoyl)Amino]-4-Chlorobenzenesulfonyl Fluoride

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Properties Simple | Detailed

Formula C20H16ClFN4O5S
IUPAC Name but-1-yn-1-ol; (e)-[1-(chloromethyl)-3-fluorosulfonyl-prop-2-ynylidene]-(6-hydroxyhexa-1,3,5-triynylcarbamoyl)ammonium; penta-2,4-diynylhydrazine
Molecular Mass 478.881 g·mol−1
Heat of Formation 4367.0 ± 16.7 kJ·mol−1
Dipole Moment 11.08 ± 1.08 D
Volume 503.94 Å 3
Surface Area 397.57 Å 2
HOMO Energy -7.82 ± 0.55 eV
LUMO Energy -3.61 ± eV
Point Group Symmetry C1
Synonyms
  • 3-(2-(2-chloro-5-fluorosulfonylphenylureido)phenoxybutoxy)benzamidine
  • 3-(o-(2-chloro-5-fluorosulfonylphenylureido)phenoxybutoxy)benzamidine
  • 3-[[2-[4-(3-amidinophenoxy)butoxy]phenyl]carbamoylamino]-4-chloro-benzenesulfonyl fluoride
  • 3-[[2-[4-(3-carbamimidoylphenoxy)butoxy]phenyl]carbamoylamino]-4-chloro-benzenesulfonyl fluoride
  • 3-[[[[2-[4-(3-carbamimidoylphenoxy)butoxy]phenyl]amino]-oxomethyl]amino]-4-chlorobenzenesulfonyl fluoride
  • benzenesulfonyl fluoride, 3-((((2-(4-(3-(aminoiminomethyl)phenoxy)butoxy)phenyl)amino)carbonyl)amino)-4-chloro-
  • m-(o-(2-chloro-5-fluorosulfonylphenylureido)phenoxybutoxy)benzamidine
CAS Number(s)
  • 32919-84-9
InChIKey LSQFJDPLGRTOAS-UHFFFAOYSA-N
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