Submission Details
Molecule(s):
CS(=O)(=O)N1Cc2cc(Cl)c(Cl)cc2C([S+]([O-])Cc2cncc3ccccc23)C1
[O-][S+](Cc1cncc2ccccc12)C1CCOc2cc(Cl)c(Cl)cc21
[O-][S+]1C(c2ccc(Cl)c(Cl)c2)CCCC1c1cncc2ccccc12
[O-][S+]1C(c2ccc(Cl)c(Cl)c2)CCC1c1cncc2ccccc12
[O-][S+](Cc1cncc2ccccc12)C1CCNc2cc(Cl)c(Cl)cc21
Design Rationale:
Like in BEN-DND-d1eb1f41, replacing amide group with something that shouldn't be easily cleaved, but conserving good hydrogen bond acceptor; on plus side, it's less flat, so perhaps better solubility, on minus side, probably longer synthesis and another stereocenter to fix. Adding methoxyl would make it S-oxide of thioacetal (likely unstable), and would not improve potency if it relies on intramolecular hydrogen bond