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

C11H10Cl3NO4S — CID 168711460

IUPAC1-(2,4-dichloro-5-methoxyphenyl)-5-oxopyrrolidine-3-sulfonyl chloride
SMILESCOc1cc(N2CC(S(=O)(=O)Cl)CC2=O)c(Cl)cc1Cl
InChIInChI=1S/C11H10Cl3NO4S/c1-19-10-4-9(7(12)3-8(10)13)15-5-6(2-11(15)16)20(14,17)18/h3-4,6H,2,5H2,1H3
InChIKeyVCEGCLLJJRARMX-UHFFFAOYSA-N
MW358.63 g/mol
LogP2.68
Rot. Bonds3

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

1-(2,4-dichloro-5-methoxyphenyl)-5-oxopyrrolidine-3-sulfonyl chloride (PubChem CID 168711460) has the molecular formula C11H10Cl3NO4S and a molecular weight of 358.63 g/mol. Its IUPAC name is 1-(2,4-dichloro-5-methoxyphenyl)-5-oxopyrrolidine-3-sulfonyl chloride.

Molecular Properties

Compound Name1-(2,4-dichloro-5-methoxyphenyl)-5-oxopyrrolidine-3-sulfonyl chloride
PubChem CID168711460
Molecular FormulaC11H10Cl3NO4S
Molecular Weight358.63 g/mol
Exact Mass356.94
IUPAC Name1-(2,4-dichloro-5-methoxyphenyl)-5-oxopyrrolidine-3-sulfonyl chloride
SMILESCOc1cc(N2CC(S(=O)(=O)Cl)CC2=O)c(Cl)cc1Cl
InChIInChI=1S/C11H10Cl3NO4S/c1-19-10-4-9(7(12)3-8(10)13)15-5-6(2-11(15)16)20(14,17)18/h3-4,6H,2,5H2,1H3
InChIKeyVCEGCLLJJRARMX-UHFFFAOYSA-N
XLogP2.68
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.63
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chloro-2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717358
methyl 1-(2,4-dichloro-5-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 168693415
1-(4-methoxy-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711528
1-(4-cyano-2-methoxyphenyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711463
5-oxo-1-(2,4,5-trichlorophenyl)pyrrolidine-3-sulfonyl fluoride
CID 168715174
1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717427
1-(3-chloro-2-methylphenyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711657
1-(4,5-dimethoxy-2-methylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717594
1-(4-chloro-3-methoxyphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717379
1-(4-chloro-2-methylphenyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711676
[1-(4-bromo-2-chloro-5-methoxyphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681124
1-(2,6-difluoro-4-methoxyphenyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711499

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichloro-5-methoxyphenyl)-5-oxopyrrolidine-3-sulfonyl chloride?
The IUPAC name of 1-(2,4-dichloro-5-methoxyphenyl)-5-oxopyrrolidine-3-sulfonyl chloride (CID 168711460) is 1-(2,4-dichloro-5-methoxyphenyl)-5-oxopyrrolidine-3-sulfonyl chloride.
What is the SMILES notation for 1-(2,4-dichloro-5-methoxyphenyl)-5-oxopyrrolidine-3-sulfonyl chloride?
The canonical SMILES for 1-(2,4-dichloro-5-methoxyphenyl)-5-oxopyrrolidine-3-sulfonyl chloride is COc1cc(N2CC(S(=O)(=O)Cl)CC2=O)c(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichloro-5-methoxyphenyl)-5-oxopyrrolidine-3-sulfonyl chloride?
The InChIKey is VCEGCLLJJRARMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl3NO4S/c1-19-10-4-9(7(12)3-8(10)13)15-5-6(2-11(15)16)20(14,17)18/h3-4,6H,2,5H2,1H3.
What are the key properties of 1-(2,4-dichloro-5-methoxyphenyl)-5-oxopyrrolidine-3-sulfonyl chloride?
1-(2,4-dichloro-5-methoxyphenyl)-5-oxopyrrolidine-3-sulfonyl chloride has a molecular weight of 358.63 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichloro-5-methoxyphenyl)-5-oxopyrrolidine-3-sulfonyl chloride is sourced from PubChem (CID 168711460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).