3-chloro-5-(2-ethylpyrrolidin-1-yl)sulfonyl-1H-pyridin-2-one

C11H15ClN2O3S — CID 64607507

IUPAC3-chloro-5-(2-ethylpyrrolidin-1-yl)sulfonyl-1H-pyridin-2-one
SMILESCCC1CCCN1S(=O)(=O)c1c[nH]c(=O)c(Cl)c1
InChIInChI=1S/C11H15ClN2O3S/c1-2-8-4-3-5-14(8)18(16,17)9-6-10(12)11(15)13-7-9/h6-8H,2-5H2,1H3,(H,13,15)
InChIKeyMHLBNEBGRPODPU-UHFFFAOYSA-N
MW290.77 g/mol
LogP1.59
Rot. Bonds3

About 3-chloro-5-(2-ethylpyrrolidin-1-yl)sulfonyl-1H-pyridin-2-one

3-chloro-5-(2-ethylpyrrolidin-1-yl)sulfonyl-1H-pyridin-2-one (PubChem CID 64607507) has the molecular formula C11H15ClN2O3S and a molecular weight of 290.77 g/mol. Its IUPAC name is 3-chloro-5-(2-ethylpyrrolidin-1-yl)sulfonyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-chloro-5-(2-ethylpyrrolidin-1-yl)sulfonyl-1H-pyridin-2-one
PubChem CID64607507
Molecular FormulaC11H15ClN2O3S
Molecular Weight290.77 g/mol
Exact Mass290.05
IUPAC Name3-chloro-5-(2-ethylpyrrolidin-1-yl)sulfonyl-1H-pyridin-2-one
SMILESCCC1CCCN1S(=O)(=O)c1c[nH]c(=O)c(Cl)c1
InChIInChI=1S/C11H15ClN2O3S/c1-2-8-4-3-5-14(8)18(16,17)9-6-10(12)11(15)13-7-9/h6-8H,2-5H2,1H3,(H,13,15)
InChIKeyMHLBNEBGRPODPU-UHFFFAOYSA-N
XLogP1.59
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.77
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-5-(3-ethylmorpholin-4-yl)sulfonyl-1H-pyridin-2-one
CID 64607306
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CID 64609062
1-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonyl]pyrrolidine-2-carboxamide
CID 64608248
2-chloro-4-(2-ethylpyrrolidin-1-yl)sulfonylaniline
CID 113288410
3-chloro-5-(4-methylazepan-1-yl)sulfonyl-1H-pyridin-2-one
CID 64608867
1-(3-chlorophenyl)sulfonyl-2-ethylpyrrolidine
CID 110604704
3-chloro-5-(2,6-dimethylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one
CID 64606339
2-chloro-4-(2-ethylazepan-1-yl)sulfonylaniline
CID 104690556
3-chloro-5-(4-propylpiperazin-1-yl)sulfonyl-1H-pyridin-2-one
CID 64608428
5-(2-ethylpyrrolidin-1-yl)sulfonyl-1,3-dihydrobenzimidazol-2-one
CID 110604707
3-chloro-5-(3-methylmorpholin-4-yl)sulfonyl-1H-pyridin-2-one
CID 64606726
3-chloro-5-(4-methylsulfonylpiperazin-1-yl)sulfonyl-1H-pyridin-2-one
CID 64607501

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(2-ethylpyrrolidin-1-yl)sulfonyl-1H-pyridin-2-one?
The IUPAC name of 3-chloro-5-(2-ethylpyrrolidin-1-yl)sulfonyl-1H-pyridin-2-one (CID 64607507) is 3-chloro-5-(2-ethylpyrrolidin-1-yl)sulfonyl-1H-pyridin-2-one.
What is the SMILES notation for 3-chloro-5-(2-ethylpyrrolidin-1-yl)sulfonyl-1H-pyridin-2-one?
The canonical SMILES for 3-chloro-5-(2-ethylpyrrolidin-1-yl)sulfonyl-1H-pyridin-2-one is CCC1CCCN1S(=O)(=O)c1c[nH]c(=O)c(Cl)c1.
What is the InChIKey of 3-chloro-5-(2-ethylpyrrolidin-1-yl)sulfonyl-1H-pyridin-2-one?
The InChIKey is MHLBNEBGRPODPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O3S/c1-2-8-4-3-5-14(8)18(16,17)9-6-10(12)11(15)13-7-9/h6-8H,2-5H2,1H3,(H,13,15).
What are the key properties of 3-chloro-5-(2-ethylpyrrolidin-1-yl)sulfonyl-1H-pyridin-2-one?
3-chloro-5-(2-ethylpyrrolidin-1-yl)sulfonyl-1H-pyridin-2-one has a molecular weight of 290.77 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(2-ethylpyrrolidin-1-yl)sulfonyl-1H-pyridin-2-one is sourced from PubChem (CID 64607507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).