1-(3,4-dichlorophenyl)sulfonyl-5-ethoxypyrrolidin-2-one

C12H13Cl2NO4S — CID 3086688

IUPAC1-(3,4-dichlorophenyl)sulfonyl-5-ethoxypyrrolidin-2-one
SMILESCCOC1CCC(=O)N1S(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H13Cl2NO4S/c1-2-19-12-6-5-11(16)15(12)20(17,18)8-3-4-9(13)10(14)7-8/h3-4,7,12H,2,5-6H2,1H3
InChIKeyMCGKUICRVXYIEI-UHFFFAOYSA-N
MW338.21 g/mol
LogP2.67
Rot. Bonds4

About 1-(3,4-dichlorophenyl)sulfonyl-5-ethoxypyrrolidin-2-one

1-(3,4-dichlorophenyl)sulfonyl-5-ethoxypyrrolidin-2-one (PubChem CID 3086688) has the molecular formula C12H13Cl2NO4S and a molecular weight of 338.21 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)sulfonyl-5-ethoxypyrrolidin-2-one.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)sulfonyl-5-ethoxypyrrolidin-2-one
PubChem CID3086688
Molecular FormulaC12H13Cl2NO4S
Molecular Weight338.21 g/mol
Exact Mass336.99
IUPAC Name1-(3,4-dichlorophenyl)sulfonyl-5-ethoxypyrrolidin-2-one
SMILESCCOC1CCC(=O)N1S(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H13Cl2NO4S/c1-2-19-12-6-5-11(16)15(12)20(17,18)8-3-4-9(13)10(14)7-8/h3-4,7,12H,2,5-6H2,1H3
InChIKeyMCGKUICRVXYIEI-UHFFFAOYSA-N
XLogP2.67
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.21
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Pyrrolidinone, 1-((3-chlorophenyl)sulfonyl)-5-ethoxy-
CID 3086691
1-(4-Chlorobenzene-1-sulfonyl)-5-ethoxypyrrolidin-2-one
CID 3086693
1-(2-Chlorobenzene-1-sulfonyl)-5-ethoxypyrrolidin-2-one
CID 3086702
3,4-dichloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide
CID 3386950
1-[4-(3,4-Dichlorophenyl)sulfonylpiperazin-1-yl]-4-methoxybutan-1-one
CID 55755579
Methyl 4-[(3,4-dichlorophenyl)sulfonyl-methylamino]butanoate
CID 60715347
Methyl 1-(3,4-dichlorophenyl)sulfonyl-4-methylpyrrolidine-3-carboxylate
CID 80338848
[4-(3,4-Dichlorophenyl)sulfonylpiperazin-1-yl]-(oxolan-3-yl)methanone
CID 86850653
Methyl 1-(3,4-dichlorophenyl)sulfonylpyrrolidine-3-carboxylate
CID 112732213

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)sulfonyl-5-ethoxypyrrolidin-2-one?
The IUPAC name of 1-(3,4-dichlorophenyl)sulfonyl-5-ethoxypyrrolidin-2-one (CID 3086688) is 1-(3,4-dichlorophenyl)sulfonyl-5-ethoxypyrrolidin-2-one.
What is the SMILES notation for 1-(3,4-dichlorophenyl)sulfonyl-5-ethoxypyrrolidin-2-one?
The canonical SMILES for 1-(3,4-dichlorophenyl)sulfonyl-5-ethoxypyrrolidin-2-one is CCOC1CCC(=O)N1S(=O)(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)sulfonyl-5-ethoxypyrrolidin-2-one?
The InChIKey is MCGKUICRVXYIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2NO4S/c1-2-19-12-6-5-11(16)15(12)20(17,18)8-3-4-9(13)10(14)7-8/h3-4,7,12H,2,5-6H2,1H3.
What are the key properties of 1-(3,4-dichlorophenyl)sulfonyl-5-ethoxypyrrolidin-2-one?
1-(3,4-dichlorophenyl)sulfonyl-5-ethoxypyrrolidin-2-one has a molecular weight of 338.21 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)sulfonyl-5-ethoxypyrrolidin-2-one is sourced from PubChem (CID 3086688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).