1-(2,6-difluoro-4-methoxyphenyl)-5-oxopyrrolidine-3-sulfonyl chloride

C11H10ClF2NO4S — CID 168711499

IUPAC1-(2,6-difluoro-4-methoxyphenyl)-5-oxopyrrolidine-3-sulfonyl chloride
SMILESCOc1cc(F)c(N2CC(S(=O)(=O)Cl)CC2=O)c(F)c1
InChIInChI=1S/C11H10ClF2NO4S/c1-19-6-2-8(13)11(9(14)3-6)15-5-7(4-10(15)16)20(12,17)18/h2-3,7H,4-5H2,1H3
InChIKeyWNYJPSWQACCWEM-UHFFFAOYSA-N
MW325.72 g/mol
LogP1.65
Rot. Bonds3

About 1-(2,6-difluoro-4-methoxyphenyl)-5-oxopyrrolidine-3-sulfonyl chloride

1-(2,6-difluoro-4-methoxyphenyl)-5-oxopyrrolidine-3-sulfonyl chloride (PubChem CID 168711499) has the molecular formula C11H10ClF2NO4S and a molecular weight of 325.72 g/mol. Its IUPAC name is 1-(2,6-difluoro-4-methoxyphenyl)-5-oxopyrrolidine-3-sulfonyl chloride.

Molecular Properties

Compound Name1-(2,6-difluoro-4-methoxyphenyl)-5-oxopyrrolidine-3-sulfonyl chloride
PubChem CID168711499
Molecular FormulaC11H10ClF2NO4S
Molecular Weight325.72 g/mol
Exact Mass325.00
IUPAC Name1-(2,6-difluoro-4-methoxyphenyl)-5-oxopyrrolidine-3-sulfonyl chloride
SMILESCOc1cc(F)c(N2CC(S(=O)(=O)Cl)CC2=O)c(F)c1
InChIInChI=1S/C11H10ClF2NO4S/c1-19-6-2-8(13)11(9(14)3-6)15-5-7(4-10(15)16)20(12,17)18/h2-3,7H,4-5H2,1H3
InChIKeyWNYJPSWQACCWEM-UHFFFAOYSA-N
XLogP1.65
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.72
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-1-(2,6-difluoro-4-methoxyphenyl)pyrrolidin-2-one
CID 168687823
1-(2-bromo-4,6-difluorophenyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712325
S-[[1-(2,6-difluoro-4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl] ethanethioate
CID 168666848
1-[2-(3,5-dimethoxyphenyl)ethyl]-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711550
methyl 4-(4-chlorosulfonyl-2-oxopyrrolidin-1-yl)-3,5-dimethylbenzoate
CID 168711830
1-(3-fluoro-5-methylphenyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711852
1-(2,4-dichloro-5-methoxyphenyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711460
1-(4-cyano-3-fluorophenyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712437
1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711571
1-(6-methoxypyridazin-3-yl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711498
2,6-difluoro-4-methoxybenzenesulfonyl chloride
CID 54592549
1-(4-chloro-2-methylphenyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711676

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluoro-4-methoxyphenyl)-5-oxopyrrolidine-3-sulfonyl chloride?
The IUPAC name of 1-(2,6-difluoro-4-methoxyphenyl)-5-oxopyrrolidine-3-sulfonyl chloride (CID 168711499) is 1-(2,6-difluoro-4-methoxyphenyl)-5-oxopyrrolidine-3-sulfonyl chloride.
What is the SMILES notation for 1-(2,6-difluoro-4-methoxyphenyl)-5-oxopyrrolidine-3-sulfonyl chloride?
The canonical SMILES for 1-(2,6-difluoro-4-methoxyphenyl)-5-oxopyrrolidine-3-sulfonyl chloride is COc1cc(F)c(N2CC(S(=O)(=O)Cl)CC2=O)c(F)c1.
What is the InChIKey of 1-(2,6-difluoro-4-methoxyphenyl)-5-oxopyrrolidine-3-sulfonyl chloride?
The InChIKey is WNYJPSWQACCWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF2NO4S/c1-19-6-2-8(13)11(9(14)3-6)15-5-7(4-10(15)16)20(12,17)18/h2-3,7H,4-5H2,1H3.
What are the key properties of 1-(2,6-difluoro-4-methoxyphenyl)-5-oxopyrrolidine-3-sulfonyl chloride?
1-(2,6-difluoro-4-methoxyphenyl)-5-oxopyrrolidine-3-sulfonyl chloride has a molecular weight of 325.72 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluoro-4-methoxyphenyl)-5-oxopyrrolidine-3-sulfonyl chloride is sourced from PubChem (CID 168711499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).