3-(2-chlorophenyl)sulfonyl-1-ethyl-4,6-dimethylpyridin-2-one

C15H16ClNO3S — CID 1483843

IUPAC3-(2-chlorophenyl)sulfonyl-1-ethyl-4,6-dimethylpyridin-2-one
SMILESCCn1c(C)cc(C)c(S(=O)(=O)c2ccccc2Cl)c1=O
InChIInChI=1S/C15H16ClNO3S/c1-4-17-11(3)9-10(2)14(15(17)18)21(19,20)13-8-6-5-7-12(13)16/h5-9H,4H2,1-3H3
InChIKeyQEBZJTALXCWOHT-UHFFFAOYSA-N
MW325.82 g/mol
LogP2.97
Rot. Bonds3

About 3-(2-chlorophenyl)sulfonyl-1-ethyl-4,6-dimethylpyridin-2-one

3-(2-chlorophenyl)sulfonyl-1-ethyl-4,6-dimethylpyridin-2-one (PubChem CID 1483843) has the molecular formula C15H16ClNO3S and a molecular weight of 325.82 g/mol. Its IUPAC name is 3-(2-chlorophenyl)sulfonyl-1-ethyl-4,6-dimethylpyridin-2-one.

Molecular Properties

Compound Name3-(2-chlorophenyl)sulfonyl-1-ethyl-4,6-dimethylpyridin-2-one
PubChem CID1483843
Molecular FormulaC15H16ClNO3S
Molecular Weight325.82 g/mol
Exact Mass325.05
IUPAC Name3-(2-chlorophenyl)sulfonyl-1-ethyl-4,6-dimethylpyridin-2-one
SMILESCCn1c(C)cc(C)c(S(=O)(=O)c2ccccc2Cl)c1=O
InChIInChI=1S/C15H16ClNO3S/c1-4-17-11(3)9-10(2)14(15(17)18)21(19,20)13-8-6-5-7-12(13)16/h5-9H,4H2,1-3H3
InChIKeyQEBZJTALXCWOHT-UHFFFAOYSA-N
XLogP2.97
TPSA56.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.82
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)sulfonyl-1-ethyl-4,6-dimethylpyridin-2-one?
The IUPAC name of 3-(2-chlorophenyl)sulfonyl-1-ethyl-4,6-dimethylpyridin-2-one (CID 1483843) is 3-(2-chlorophenyl)sulfonyl-1-ethyl-4,6-dimethylpyridin-2-one.
What is the SMILES notation for 3-(2-chlorophenyl)sulfonyl-1-ethyl-4,6-dimethylpyridin-2-one?
The canonical SMILES for 3-(2-chlorophenyl)sulfonyl-1-ethyl-4,6-dimethylpyridin-2-one is CCn1c(C)cc(C)c(S(=O)(=O)c2ccccc2Cl)c1=O.
What is the InChIKey of 3-(2-chlorophenyl)sulfonyl-1-ethyl-4,6-dimethylpyridin-2-one?
The InChIKey is QEBZJTALXCWOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO3S/c1-4-17-11(3)9-10(2)14(15(17)18)21(19,20)13-8-6-5-7-12(13)16/h5-9H,4H2,1-3H3.
What are the key properties of 3-(2-chlorophenyl)sulfonyl-1-ethyl-4,6-dimethylpyridin-2-one?
3-(2-chlorophenyl)sulfonyl-1-ethyl-4,6-dimethylpyridin-2-one has a molecular weight of 325.82 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)sulfonyl-1-ethyl-4,6-dimethylpyridin-2-one is sourced from PubChem (CID 1483843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).