2-ethylsulfanyl-4,6-dimethyl-3-(2-methylphenyl)sulfonylpyridine

C16H19NO2S2 — CID 2768958

IUPAC2-ethylsulfanyl-4,6-dimethyl-3-(2-methylphenyl)sulfonylpyridine
SMILESCCSc1nc(C)cc(C)c1S(=O)(=O)c1ccccc1C
InChIInChI=1S/C16H19NO2S2/c1-5-20-16-15(12(3)10-13(4)17-16)21(18,19)14-9-7-6-8-11(14)2/h6-10H,5H2,1-4H3
InChIKeyZKJDEGGXLXMDOZ-UHFFFAOYSA-N
MW321.47 g/mol
LogP3.95
Rot. Bonds4

About 2-ethylsulfanyl-4,6-dimethyl-3-(2-methylphenyl)sulfonylpyridine

2-ethylsulfanyl-4,6-dimethyl-3-(2-methylphenyl)sulfonylpyridine (PubChem CID 2768958) has the molecular formula C16H19NO2S2 and a molecular weight of 321.47 g/mol. Its IUPAC name is 2-ethylsulfanyl-4,6-dimethyl-3-(2-methylphenyl)sulfonylpyridine.

Molecular Properties

Compound Name2-ethylsulfanyl-4,6-dimethyl-3-(2-methylphenyl)sulfonylpyridine
PubChem CID2768958
Molecular FormulaC16H19NO2S2
Molecular Weight321.47 g/mol
Exact Mass321.09
IUPAC Name2-ethylsulfanyl-4,6-dimethyl-3-(2-methylphenyl)sulfonylpyridine
SMILESCCSc1nc(C)cc(C)c1S(=O)(=O)c1ccccc1C
InChIInChI=1S/C16H19NO2S2/c1-5-20-16-15(12(3)10-13(4)17-16)21(18,19)14-9-7-6-8-11(14)2/h6-10H,5H2,1-4H3
InChIKeyZKJDEGGXLXMDOZ-UHFFFAOYSA-N
XLogP3.95
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-4,6-dimethyl-3-(2-methylphenyl)sulfonylpyridine?
The IUPAC name of 2-ethylsulfanyl-4,6-dimethyl-3-(2-methylphenyl)sulfonylpyridine (CID 2768958) is 2-ethylsulfanyl-4,6-dimethyl-3-(2-methylphenyl)sulfonylpyridine.
What is the SMILES notation for 2-ethylsulfanyl-4,6-dimethyl-3-(2-methylphenyl)sulfonylpyridine?
The canonical SMILES for 2-ethylsulfanyl-4,6-dimethyl-3-(2-methylphenyl)sulfonylpyridine is CCSc1nc(C)cc(C)c1S(=O)(=O)c1ccccc1C.
What is the InChIKey of 2-ethylsulfanyl-4,6-dimethyl-3-(2-methylphenyl)sulfonylpyridine?
The InChIKey is ZKJDEGGXLXMDOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S2/c1-5-20-16-15(12(3)10-13(4)17-16)21(18,19)14-9-7-6-8-11(14)2/h6-10H,5H2,1-4H3.
What are the key properties of 2-ethylsulfanyl-4,6-dimethyl-3-(2-methylphenyl)sulfonylpyridine?
2-ethylsulfanyl-4,6-dimethyl-3-(2-methylphenyl)sulfonylpyridine has a molecular weight of 321.47 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-4,6-dimethyl-3-(2-methylphenyl)sulfonylpyridine is sourced from PubChem (CID 2768958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).