[1-(3-chloro-2,6-diethylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide

C15H21ClN2O3S — CID 168680890

IUPAC[1-(3-chloro-2,6-diethylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESCCc1ccc(Cl)c(CC)c1N1CC(CS(N)(=O)=O)CC1=O
InChIInChI=1S/C15H21ClN2O3S/c1-3-11-5-6-13(16)12(4-2)15(11)18-8-10(7-14(18)19)9-22(17,20)21/h5-6,10H,3-4,7-9H2,1-2H3,(H2,17,20,21)
InChIKeyFXOMRNNQRCCHFX-UHFFFAOYSA-N
MW344.86 g/mol
LogP2.11
Rot. Bonds5

About [1-(3-chloro-2,6-diethylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide

[1-(3-chloro-2,6-diethylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide (PubChem CID 168680890) has the molecular formula C15H21ClN2O3S and a molecular weight of 344.86 g/mol. Its IUPAC name is [1-(3-chloro-2,6-diethylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name[1-(3-chloro-2,6-diethylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
PubChem CID168680890
Molecular FormulaC15H21ClN2O3S
Molecular Weight344.86 g/mol
Exact Mass344.10
IUPAC Name[1-(3-chloro-2,6-diethylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESCCc1ccc(Cl)c(CC)c1N1CC(CS(N)(=O)=O)CC1=O
InChIInChI=1S/C15H21ClN2O3S/c1-3-11-5-6-13(16)12(4-2)15(11)18-8-10(7-14(18)19)9-22(17,20)21/h5-6,10H,3-4,7-9H2,1-2H3,(H2,17,20,21)
InChIKeyFXOMRNNQRCCHFX-UHFFFAOYSA-N
XLogP2.11
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.86
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(6-amino-2,3-dimethylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681412
[1-(3-chloro-4-hydroxyphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682499
[1-(2-chloro-6-nitrophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682362
[1-(2-ethylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680917
[1-(5-chloro-2-fluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682417
[1-(2-chloro-4-fluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682696
[(3R)-1-(4-bromophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 97297929
4-chloro-3-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]benzoic acid
CID 168682408
[1-(5-chloro-2-hydroxyphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682419
[1-(4-chloro-2-fluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682685
[1-(6-chloro-2-methyl-3-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681533
[1-(4-bromo-2-chloro-5-methoxyphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681124

Frequently Asked Questions

What is the IUPAC name of [1-(3-chloro-2,6-diethylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of [1-(3-chloro-2,6-diethylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide (CID 168680890) is [1-(3-chloro-2,6-diethylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for [1-(3-chloro-2,6-diethylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for [1-(3-chloro-2,6-diethylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide is CCc1ccc(Cl)c(CC)c1N1CC(CS(N)(=O)=O)CC1=O.
What is the InChIKey of [1-(3-chloro-2,6-diethylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The InChIKey is FXOMRNNQRCCHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O3S/c1-3-11-5-6-13(16)12(4-2)15(11)18-8-10(7-14(18)19)9-22(17,20)21/h5-6,10H,3-4,7-9H2,1-2H3,(H2,17,20,21).
What are the key properties of [1-(3-chloro-2,6-diethylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
[1-(3-chloro-2,6-diethylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide has a molecular weight of 344.86 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chloro-2,6-diethylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 168680890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).