3-chloro-5-(3-ethylmorpholin-4-yl)sulfonyl-1H-pyridin-2-one

C11H15ClN2O4S — CID 64607306

IUPAC3-chloro-5-(3-ethylmorpholin-4-yl)sulfonyl-1H-pyridin-2-one
SMILESCCC1COCCN1S(=O)(=O)c1c[nH]c(=O)c(Cl)c1
InChIInChI=1S/C11H15ClN2O4S/c1-2-8-7-18-4-3-14(8)19(16,17)9-5-10(12)11(15)13-6-9/h5-6,8H,2-4,7H2,1H3,(H,13,15)
InChIKeyPNTNIZUEUKCKHE-UHFFFAOYSA-N
MW306.77 g/mol
LogP0.83
Rot. Bonds3

About 3-chloro-5-(3-ethylmorpholin-4-yl)sulfonyl-1H-pyridin-2-one

3-chloro-5-(3-ethylmorpholin-4-yl)sulfonyl-1H-pyridin-2-one (PubChem CID 64607306) has the molecular formula C11H15ClN2O4S and a molecular weight of 306.77 g/mol. Its IUPAC name is 3-chloro-5-(3-ethylmorpholin-4-yl)sulfonyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-chloro-5-(3-ethylmorpholin-4-yl)sulfonyl-1H-pyridin-2-one
PubChem CID64607306
Molecular FormulaC11H15ClN2O4S
Molecular Weight306.77 g/mol
Exact Mass306.04
IUPAC Name3-chloro-5-(3-ethylmorpholin-4-yl)sulfonyl-1H-pyridin-2-one
SMILESCCC1COCCN1S(=O)(=O)c1c[nH]c(=O)c(Cl)c1
InChIInChI=1S/C11H15ClN2O4S/c1-2-8-7-18-4-3-14(8)19(16,17)9-5-10(12)11(15)13-6-9/h5-6,8H,2-4,7H2,1H3,(H,13,15)
InChIKeyPNTNIZUEUKCKHE-UHFFFAOYSA-N
XLogP0.83
TPSA79.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.77
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(3-ethylmorpholin-4-yl)sulfonyl-1H-pyridin-2-one?
The IUPAC name of 3-chloro-5-(3-ethylmorpholin-4-yl)sulfonyl-1H-pyridin-2-one (CID 64607306) is 3-chloro-5-(3-ethylmorpholin-4-yl)sulfonyl-1H-pyridin-2-one.
What is the SMILES notation for 3-chloro-5-(3-ethylmorpholin-4-yl)sulfonyl-1H-pyridin-2-one?
The canonical SMILES for 3-chloro-5-(3-ethylmorpholin-4-yl)sulfonyl-1H-pyridin-2-one is CCC1COCCN1S(=O)(=O)c1c[nH]c(=O)c(Cl)c1.
What is the InChIKey of 3-chloro-5-(3-ethylmorpholin-4-yl)sulfonyl-1H-pyridin-2-one?
The InChIKey is PNTNIZUEUKCKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O4S/c1-2-8-7-18-4-3-14(8)19(16,17)9-5-10(12)11(15)13-6-9/h5-6,8H,2-4,7H2,1H3,(H,13,15).
What are the key properties of 3-chloro-5-(3-ethylmorpholin-4-yl)sulfonyl-1H-pyridin-2-one?
3-chloro-5-(3-ethylmorpholin-4-yl)sulfonyl-1H-pyridin-2-one has a molecular weight of 306.77 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(3-ethylmorpholin-4-yl)sulfonyl-1H-pyridin-2-one is sourced from PubChem (CID 64607306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).