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

C10H13ClN2O4S — CID 64606726

IUPAC3-chloro-5-(3-methylmorpholin-4-yl)sulfonyl-1H-pyridin-2-one
SMILESCC1COCCN1S(=O)(=O)c1c[nH]c(=O)c(Cl)c1
InChIInChI=1S/C10H13ClN2O4S/c1-7-6-17-3-2-13(7)18(15,16)8-4-9(11)10(14)12-5-8/h4-5,7H,2-3,6H2,1H3,(H,12,14)
InChIKeyPTRUAFNSKQEXTG-UHFFFAOYSA-N
MW292.74 g/mol
LogP0.44
Rot. Bonds2

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

3-chloro-5-(3-methylmorpholin-4-yl)sulfonyl-1H-pyridin-2-one (PubChem CID 64606726) has the molecular formula C10H13ClN2O4S and a molecular weight of 292.74 g/mol. Its IUPAC name is 3-chloro-5-(3-methylmorpholin-4-yl)sulfonyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-chloro-5-(3-methylmorpholin-4-yl)sulfonyl-1H-pyridin-2-one
PubChem CID64606726
Molecular FormulaC10H13ClN2O4S
Molecular Weight292.74 g/mol
Exact Mass292.03
IUPAC Name3-chloro-5-(3-methylmorpholin-4-yl)sulfonyl-1H-pyridin-2-one
SMILESCC1COCCN1S(=O)(=O)c1c[nH]c(=O)c(Cl)c1
InChIInChI=1S/C10H13ClN2O4S/c1-7-6-17-3-2-13(7)18(15,16)8-4-9(11)10(14)12-5-8/h4-5,7H,2-3,6H2,1H3,(H,12,14)
InChIKeyPTRUAFNSKQEXTG-UHFFFAOYSA-N
XLogP0.44
TPSA79.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.74
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-5-(3-ethylmorpholin-4-yl)sulfonyl-1H-pyridin-2-one
CID 64607306
4-(4-chlorophenyl)sulfonyl-3-methylmorpholine
CID 47171390
(3R)-3-methyl-4-(1H-pyrazol-4-ylsulfonyl)morpholine
CID 106833798
3-chloro-5-(2,6-dimethylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one
CID 64606339
3-chloro-5-(2-ethylpyrrolidin-1-yl)sulfonyl-1H-pyridin-2-one
CID 64607507
3-chloro-5-(4-methylsulfonylpiperazin-1-yl)sulfonyl-1H-pyridin-2-one
CID 64607501
3-chloro-5-(4-methylazepan-1-yl)sulfonyl-1H-pyridin-2-one
CID 64608867
3-chloro-5-(2,6-dimethylthiomorpholin-4-yl)sulfonyl-1H-pyridin-2-one
CID 64608490
3-chloro-5-piperazin-1-ylsulfonyl-1H-pyridin-2-one
CID 95434185
1-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonyl]pyrrolidine-2-carboxamide
CID 64608248
3-chloro-5-(2,2-dimethylmorpholin-4-yl)sulfonyl-1H-pyridin-2-one
CID 64607116
4-(3-methylmorpholin-4-yl)sulfonylbenzenecarbothioamide
CID 43542367

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(3-methylmorpholin-4-yl)sulfonyl-1H-pyridin-2-one?
The IUPAC name of 3-chloro-5-(3-methylmorpholin-4-yl)sulfonyl-1H-pyridin-2-one (CID 64606726) is 3-chloro-5-(3-methylmorpholin-4-yl)sulfonyl-1H-pyridin-2-one.
What is the SMILES notation for 3-chloro-5-(3-methylmorpholin-4-yl)sulfonyl-1H-pyridin-2-one?
The canonical SMILES for 3-chloro-5-(3-methylmorpholin-4-yl)sulfonyl-1H-pyridin-2-one is CC1COCCN1S(=O)(=O)c1c[nH]c(=O)c(Cl)c1.
What is the InChIKey of 3-chloro-5-(3-methylmorpholin-4-yl)sulfonyl-1H-pyridin-2-one?
The InChIKey is PTRUAFNSKQEXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O4S/c1-7-6-17-3-2-13(7)18(15,16)8-4-9(11)10(14)12-5-8/h4-5,7H,2-3,6H2,1H3,(H,12,14).
What are the key properties of 3-chloro-5-(3-methylmorpholin-4-yl)sulfonyl-1H-pyridin-2-one?
3-chloro-5-(3-methylmorpholin-4-yl)sulfonyl-1H-pyridin-2-one has a molecular weight of 292.74 g/mol, XLogP of 0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(3-methylmorpholin-4-yl)sulfonyl-1H-pyridin-2-one is sourced from PubChem (CID 64606726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).