Recilisib
4-[(E)-2-[(4-chlorophenyl)methylsulfonyl]ethenyl]benzoic acid
Molecular Identity
Recilisib
4-[(E)-2-[(4-chlorophenyl)methylsulfonyl]ethenyl]benzoic acid
PubChem CID: 9884220
2D Structure
Properties
C16H13ClO4S
Molecular Formula
336.80
Molecular Weight
g/mol
336.0223
Exact Mass
Da
3.2
XLogP
Drug-like (Lipinski: < 5)
79.8
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
4
H-Bond Acceptors
493
Complexity
SMILES
Canonical SMILES
SMILES: C1=CC(=CC=C1CS(=O)(=O)C=CC2=CC=C(C=C2)C(=O)O)ClIsomeric SMILES
SMILES: C1=CC(=CC=C1CS(=O)(=O)/C=C/C2=CC=C(C=C2)C(=O)O)ClSynonyms(20)
Recilisib334969-03-8ON 012104-[(E)-2-[(4-chlorophenyl)methylsulfonyl]ethenyl]benzoic AcidRecilisib [USAN]Recilisib [USAN:INN]UNII-F5V4K11SYVF5V4K11SYVON-01210RECILISIB [INN]RECILISIB [WHO-DD]Recilisib (USAN)4-((1E)-2-(((4-chlorophenyl)methyl)sulfonyl)ethenyl)benzoic acidBenzoic acid, 4-((1E)-2-(((4-chlorophenyl)methyl)sulfonyl)ethenyl)-4-[(1E)-2-[[(4-Chlorophenyl)methyl]sulfonyl]ethenyl]benzoic acid
Data from PubChem (NCBI)
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