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

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Properties Simple | Detailed

Formula C24H24ClFN4O5S
IUPAC Name 3-[[2-[4-(3-carbamimidoylphenoxy)butoxy]phenyl]carbamoylamino]-4-chloro-benzenesulfonyl fluoride
Molecular Mass 534.988 g·mol−1
Heat of Formation -816.8 ± 16.7 kJ·mol−1
Dipole Moment 8.53 ± 1.08 D
Volume 576.14 Å 3
Surface Area 416.59 Å 2
HOMO Energy -9.11 ± 0.55 eV
LUMO Energy -1.23 ± 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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