[1-[2-(2,5-dichlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonamide

C13H16Cl2N2O3S — CID 168681951

IUPAC[1-[2-(2,5-dichlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESNS(=O)(=O)CC1CC(=O)N(CCc2cc(Cl)ccc2Cl)C1
InChIInChI=1S/C13H16Cl2N2O3S/c14-11-1-2-12(15)10(6-11)3-4-17-7-9(5-13(17)18)8-21(16,19)20/h1-2,6,9H,3-5,7-8H2,(H2,16,19,20)
InChIKeyDFQACKBQCZJVSA-UHFFFAOYSA-N
MW351.26 g/mol
LogP1.67
Rot. Bonds5

About [1-[2-(2,5-dichlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonamide

[1-[2-(2,5-dichlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonamide (PubChem CID 168681951) has the molecular formula C13H16Cl2N2O3S and a molecular weight of 351.26 g/mol. Its IUPAC name is [1-[2-(2,5-dichlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name[1-[2-(2,5-dichlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
PubChem CID168681951
Molecular FormulaC13H16Cl2N2O3S
Molecular Weight351.26 g/mol
Exact Mass350.03
IUPAC Name[1-[2-(2,5-dichlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESNS(=O)(=O)CC1CC(=O)N(CCc2cc(Cl)ccc2Cl)C1
InChIInChI=1S/C13H16Cl2N2O3S/c14-11-1-2-12(15)10(6-11)3-4-17-7-9(5-13(17)18)8-21(16,19)20/h1-2,6,9H,3-5,7-8H2,(H2,16,19,20)
InChIKeyDFQACKBQCZJVSA-UHFFFAOYSA-N
XLogP1.67
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.26
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(chloromethyl)-1-[2-(2,5-dichlorophenyl)ethyl]pyrrolidin-2-one
CID 168508277
4-amino-1-[2-(2,5-dichlorophenyl)ethyl]pyrrolidin-2-one
CID 168700170
[1-[2-(2,4-dimethylphenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681596
1-[2-(2,5-dichlorophenyl)ethyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168691364
[1-[(3-chloro-4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682061
[1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681654
[1-[2-(4-ethylphenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680902
[1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681858
4-(chloromethyl)-1-[2-(2,4-dichlorophenyl)ethyl]pyrrolidin-2-one
CID 168508293
[1-[2-(4-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168673680
[1-[2-(4-tert-butylphenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680607
[1-[2-(1H-indazol-4-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682006

Frequently Asked Questions

What is the IUPAC name of [1-[2-(2,5-dichlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of [1-[2-(2,5-dichlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonamide (CID 168681951) is [1-[2-(2,5-dichlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for [1-[2-(2,5-dichlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for [1-[2-(2,5-dichlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonamide is NS(=O)(=O)CC1CC(=O)N(CCc2cc(Cl)ccc2Cl)C1.
What is the InChIKey of [1-[2-(2,5-dichlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonamide?
The InChIKey is DFQACKBQCZJVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O3S/c14-11-1-2-12(15)10(6-11)3-4-17-7-9(5-13(17)18)8-21(16,19)20/h1-2,6,9H,3-5,7-8H2,(H2,16,19,20).
What are the key properties of [1-[2-(2,5-dichlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonamide?
[1-[2-(2,5-dichlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonamide has a molecular weight of 351.26 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(2,5-dichlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 168681951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).