4-(2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonyl-3-methylmorpholine

C12H14ClN3O3S — CID 47254192

IUPAC4-(2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonyl-3-methylmorpholine
SMILESCC1COCCN1S(=O)(=O)c1c(Cl)nc2ccccn12
InChIInChI=1S/C12H14ClN3O3S/c1-9-8-19-7-6-16(9)20(17,18)12-11(13)14-10-4-2-3-5-15(10)12/h2-5,9H,6-8H2,1H3
InChIKeyJSMOEKRLFKQDOD-UHFFFAOYSA-N
MW315.78 g/mol
LogP1.40
Rot. Bonds2

About 4-(2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonyl-3-methylmorpholine

4-(2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonyl-3-methylmorpholine (PubChem CID 47254192) has the molecular formula C12H14ClN3O3S and a molecular weight of 315.78 g/mol. Its IUPAC name is 4-(2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonyl-3-methylmorpholine.

Molecular Properties

Compound Name4-(2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonyl-3-methylmorpholine
PubChem CID47254192
Molecular FormulaC12H14ClN3O3S
Molecular Weight315.78 g/mol
Exact Mass315.04
IUPAC Name4-(2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonyl-3-methylmorpholine
SMILESCC1COCCN1S(=O)(=O)c1c(Cl)nc2ccccn12
InChIInChI=1S/C12H14ClN3O3S/c1-9-8-19-7-6-16(9)20(17,18)12-11(13)14-10-4-2-3-5-15(10)12/h2-5,9H,6-8H2,1H3
InChIKeyJSMOEKRLFKQDOD-UHFFFAOYSA-N
XLogP1.40
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.78
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonyl-3-methylmorpholine?
The IUPAC name of 4-(2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonyl-3-methylmorpholine (CID 47254192) is 4-(2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonyl-3-methylmorpholine.
What is the SMILES notation for 4-(2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonyl-3-methylmorpholine?
The canonical SMILES for 4-(2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonyl-3-methylmorpholine is CC1COCCN1S(=O)(=O)c1c(Cl)nc2ccccn12.
What is the InChIKey of 4-(2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonyl-3-methylmorpholine?
The InChIKey is JSMOEKRLFKQDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O3S/c1-9-8-19-7-6-16(9)20(17,18)12-11(13)14-10-4-2-3-5-15(10)12/h2-5,9H,6-8H2,1H3.
What are the key properties of 4-(2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonyl-3-methylmorpholine?
4-(2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonyl-3-methylmorpholine has a molecular weight of 315.78 g/mol, XLogP of 1.40, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonyl-3-methylmorpholine is sourced from PubChem (CID 47254192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).