KUL

1-(2-fluoranyl-5-methylsulfonyl-phenyl)pyrrolidine-2,5-dione

Created:	2022-06-07
Last modified:	2024-09-27

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Chemical Details
Formal Charge	0
Atom Count	28
Chiral Atom Count	0
Bond Count	29
Aromatic Bond Count	6

2D diagram of KUL

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Chemical Component Summary
Name	1-(2-fluoranyl-5-methylsulfonyl-phenyl)pyrrolidine-2,5-dione
Synonyms	1-(2-Fluoro-5-methylsulfonylphenyl)pyrrole-2,5-dione (reacted form of)
Systematic Name (OpenEye OEToolkits)	1-(2-fluoranyl-5-methylsulfonyl-phenyl)pyrrolidine-2,5-dione
Formula	C₁₁ H₁₀ F N O₄ S
Molecular Weight	271.265
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	C[S](=O)(=O)c1ccc(F)c(c1)N2C(=O)CCC2=O
SMILES	OpenEye OEToolkits	2.0.7	CS(=O)(=O)c1ccc(c(c1)N2C(=O)CCC2=O)F
Canonical SMILES	CACTVS	3.385	C[S](=O)(=O)c1ccc(F)c(c1)N2C(=O)CCC2=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	CS(=O)(=O)c1ccc(c(c1)N2C(=O)CCC2=O)F
InChI	InChI	1.06	InChI=1S/C11H10FNO4S/c1-18(16,17)7-2-3-8(12)9(6-7)13-10(14)4-5-11(13)15/h2-3,6H,4-5H2,1H3
InChIKey	InChI	1.06	RISNMQBAJMCDFN-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	3671883

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