[1-(2,6-dichloro-4-fluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride

C11H9Cl3FNO3S — CID 168673891

IUPAC[1-(2,6-dichloro-4-fluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
SMILESO=C1CC(CS(=O)(=O)Cl)CN1c1c(Cl)cc(F)cc1Cl
InChIInChI=1S/C11H9Cl3FNO3S/c12-8-2-7(15)3-9(13)11(8)16-4-6(1-10(16)17)5-20(14,18)19/h2-3,6H,1,4-5H2
InChIKeyUCIRLQWUXKZNMK-UHFFFAOYSA-N
MW360.62 g/mol
LogP3.05
Rot. Bonds3

About [1-(2,6-dichloro-4-fluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride

[1-(2,6-dichloro-4-fluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride (PubChem CID 168673891) has the molecular formula C11H9Cl3FNO3S and a molecular weight of 360.62 g/mol. Its IUPAC name is [1-(2,6-dichloro-4-fluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride.

Molecular Properties

Compound Name[1-(2,6-dichloro-4-fluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
PubChem CID168673891
Molecular FormulaC11H9Cl3FNO3S
Molecular Weight360.62 g/mol
Exact Mass358.94
IUPAC Name[1-(2,6-dichloro-4-fluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
SMILESO=C1CC(CS(=O)(=O)Cl)CN1c1c(Cl)cc(F)cc1Cl
InChIInChI=1S/C11H9Cl3FNO3S/c12-8-2-7(15)3-9(13)11(8)16-4-6(1-10(16)17)5-20(14,18)19/h2-3,6H,1,4-5H2
InChIKeyUCIRLQWUXKZNMK-UHFFFAOYSA-N
XLogP3.05
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.62
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2-bromo-6-chloro-4-fluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168673890
[1-(2-chloro-5-fluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168673991
4-(chloromethyl)-1-(2,6-dichloro-4-fluorophenyl)pyrrolidin-2-one
CID 168508594
[1-(5-chloro-2-fluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168673985
[5-oxo-1-(2,4,5-trichlorophenyl)pyrrolidin-3-yl]methanesulfonyl chloride
CID 168673880
[5-oxo-1-(2,4,5-trifluorophenyl)pyrrolidin-3-yl]methanesulfonyl chloride
CID 168673907
[1-(2,4-dichloro-5-methylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168673228
1-(2-bromo-6-chloro-4-fluorophenyl)-4-(chloromethyl)pyrrolidin-2-one
CID 168508593
[1-(3,5-difluoro-4-methylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168673237
[1-(2-chloro-4-fluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682696
[1-(2-chloro-6-cyanophenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168673870
[1-(2-fluoro-6-methoxyphenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168673174

Frequently Asked Questions

What is the IUPAC name of [1-(2,6-dichloro-4-fluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride?
The IUPAC name of [1-(2,6-dichloro-4-fluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride (CID 168673891) is [1-(2,6-dichloro-4-fluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride.
What is the SMILES notation for [1-(2,6-dichloro-4-fluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride?
The canonical SMILES for [1-(2,6-dichloro-4-fluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride is O=C1CC(CS(=O)(=O)Cl)CN1c1c(Cl)cc(F)cc1Cl.
What is the InChIKey of [1-(2,6-dichloro-4-fluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride?
The InChIKey is UCIRLQWUXKZNMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl3FNO3S/c12-8-2-7(15)3-9(13)11(8)16-4-6(1-10(16)17)5-20(14,18)19/h2-3,6H,1,4-5H2.
What are the key properties of [1-(2,6-dichloro-4-fluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride?
[1-(2,6-dichloro-4-fluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride has a molecular weight of 360.62 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,6-dichloro-4-fluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride is sourced from PubChem (CID 168673891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).