3-chloro-5-[2-(cyclopropylmethoxy)-5-ethylsulfonylphenyl]-1-methylpyridin-2-one

C18H20ClNO4S — CID 118022031

IUPAC3-chloro-5-[2-(cyclopropylmethoxy)-5-ethylsulfonylphenyl]-1-methylpyridin-2-one
SMILESCCS(=O)(=O)c1ccc(OCC2CC2)c(-c2cc(Cl)c(=O)n(C)c2)c1
InChIInChI=1S/C18H20ClNO4S/c1-3-25(22,23)14-6-7-17(24-11-12-4-5-12)15(9-14)13-8-16(19)18(21)20(2)10-13/h6-10,12H,3-5,11H2,1-2H3
InChIKeyFRZDYQLBFWXADP-UHFFFAOYSA-N
MW381.88 g/mol
LogP3.29
Rot. Bonds6

About 3-chloro-5-[2-(cyclopropylmethoxy)-5-ethylsulfonylphenyl]-1-methylpyridin-2-one

3-chloro-5-[2-(cyclopropylmethoxy)-5-ethylsulfonylphenyl]-1-methylpyridin-2-one (PubChem CID 118022031) has the molecular formula C18H20ClNO4S and a molecular weight of 381.88 g/mol. Its IUPAC name is 3-chloro-5-[2-(cyclopropylmethoxy)-5-ethylsulfonylphenyl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name3-chloro-5-[2-(cyclopropylmethoxy)-5-ethylsulfonylphenyl]-1-methylpyridin-2-one
PubChem CID118022031
Molecular FormulaC18H20ClNO4S
Molecular Weight381.88 g/mol
Exact Mass381.08
IUPAC Name3-chloro-5-[2-(cyclopropylmethoxy)-5-ethylsulfonylphenyl]-1-methylpyridin-2-one
SMILESCCS(=O)(=O)c1ccc(OCC2CC2)c(-c2cc(Cl)c(=O)n(C)c2)c1
InChIInChI=1S/C18H20ClNO4S/c1-3-25(22,23)14-6-7-17(24-11-12-4-5-12)15(9-14)13-8-16(19)18(21)20(2)10-13/h6-10,12H,3-5,11H2,1-2H3
InChIKeyFRZDYQLBFWXADP-UHFFFAOYSA-N
XLogP3.29
TPSA65.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.88
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-chloro-5-[2-(cyclopropylmethoxy)-5-ethylsulfonylphenyl]-1-methylpyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[2-(cyclopropylmethoxy)-5-ethylsulfonylphenyl]-1-methylpyridin-2-one?
The IUPAC name of 3-chloro-5-[2-(cyclopropylmethoxy)-5-ethylsulfonylphenyl]-1-methylpyridin-2-one (CID 118022031) is 3-chloro-5-[2-(cyclopropylmethoxy)-5-ethylsulfonylphenyl]-1-methylpyridin-2-one.
What is the SMILES notation for 3-chloro-5-[2-(cyclopropylmethoxy)-5-ethylsulfonylphenyl]-1-methylpyridin-2-one?
The canonical SMILES for 3-chloro-5-[2-(cyclopropylmethoxy)-5-ethylsulfonylphenyl]-1-methylpyridin-2-one is CCS(=O)(=O)c1ccc(OCC2CC2)c(-c2cc(Cl)c(=O)n(C)c2)c1.
What is the InChIKey of 3-chloro-5-[2-(cyclopropylmethoxy)-5-ethylsulfonylphenyl]-1-methylpyridin-2-one?
The InChIKey is FRZDYQLBFWXADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO4S/c1-3-25(22,23)14-6-7-17(24-11-12-4-5-12)15(9-14)13-8-16(19)18(21)20(2)10-13/h6-10,12H,3-5,11H2,1-2H3.
What are the key properties of 3-chloro-5-[2-(cyclopropylmethoxy)-5-ethylsulfonylphenyl]-1-methylpyridin-2-one?
3-chloro-5-[2-(cyclopropylmethoxy)-5-ethylsulfonylphenyl]-1-methylpyridin-2-one has a molecular weight of 381.88 g/mol, XLogP of 3.29, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[2-(cyclopropylmethoxy)-5-ethylsulfonylphenyl]-1-methylpyridin-2-one is sourced from PubChem (CID 118022031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).