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

C12H12Cl3NO3S — CID 168673228

IUPAC[1-(2,4-dichloro-5-methylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
SMILESCc1cc(N2CC(CS(=O)(=O)Cl)CC2=O)c(Cl)cc1Cl
InChIInChI=1S/C12H12Cl3NO3S/c1-7-2-11(10(14)4-9(7)13)16-5-8(3-12(16)17)6-20(15,18)19/h2,4,8H,3,5-6H2,1H3
InChIKeyVBQMAOXNYMBVAH-UHFFFAOYSA-N
MW356.66 g/mol
LogP3.22
Rot. Bonds3

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

[1-(2,4-dichloro-5-methylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride (PubChem CID 168673228) has the molecular formula C12H12Cl3NO3S and a molecular weight of 356.66 g/mol. Its IUPAC name is [1-(2,4-dichloro-5-methylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride.

Molecular Properties

Compound Name[1-(2,4-dichloro-5-methylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
PubChem CID168673228
Molecular FormulaC12H12Cl3NO3S
Molecular Weight356.66 g/mol
Exact Mass354.96
IUPAC Name[1-(2,4-dichloro-5-methylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
SMILESCc1cc(N2CC(CS(=O)(=O)Cl)CC2=O)c(Cl)cc1Cl
InChIInChI=1S/C12H12Cl3NO3S/c1-7-2-11(10(14)4-9(7)13)16-5-8(3-12(16)17)6-20(15,18)19/h2,4,8H,3,5-6H2,1H3
InChIKeyVBQMAOXNYMBVAH-UHFFFAOYSA-N
XLogP3.22
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.66
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[5-oxo-1-(2,4,5-trichlorophenyl)pyrrolidin-3-yl]methanesulfonyl chloride
CID 168673880
[1-(5-chloro-2-methoxy-4-methylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168673268
[1-(2,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168673300
[1-(2-chloro-5-fluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168673991
[1-(2-iodo-5-methylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168673308
[1-(5-chloro-2-fluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168673985
[1-(2,6-dichloro-4-fluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168673891
[5-oxo-1-(2,4,5-trifluorophenyl)pyrrolidin-3-yl]methanesulfonyl chloride
CID 168673907
1-(2-amino-4-chloro-5-methylphenyl)-4-(chloromethyl)pyrrolidin-2-one
CID 168507706
[1-(4-chloro-3-iodophenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168674043
[1-(5-iodo-2-methoxyphenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168673106
[1-(3,5-difluoro-4-methylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168673237

Frequently Asked Questions

What is the IUPAC name of [1-(2,4-dichloro-5-methylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride?
The IUPAC name of [1-(2,4-dichloro-5-methylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride (CID 168673228) is [1-(2,4-dichloro-5-methylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride.
What is the SMILES notation for [1-(2,4-dichloro-5-methylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride?
The canonical SMILES for [1-(2,4-dichloro-5-methylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride is Cc1cc(N2CC(CS(=O)(=O)Cl)CC2=O)c(Cl)cc1Cl.
What is the InChIKey of [1-(2,4-dichloro-5-methylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride?
The InChIKey is VBQMAOXNYMBVAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl3NO3S/c1-7-2-11(10(14)4-9(7)13)16-5-8(3-12(16)17)6-20(15,18)19/h2,4,8H,3,5-6H2,1H3.
What are the key properties of [1-(2,4-dichloro-5-methylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride?
[1-(2,4-dichloro-5-methylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride has a molecular weight of 356.66 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,4-dichloro-5-methylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride is sourced from PubChem (CID 168673228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).