3-(2,6-dimethylphenyl)sulfonyl-4,6-dimethyl-2-(2-methylpropoxy)pyridine

C19H25NO3S — CID 1488517

IUPAC3-(2,6-dimethylphenyl)sulfonyl-4,6-dimethyl-2-(2-methylpropoxy)pyridine
SMILESCc1cc(C)c(S(=O)(=O)c2c(C)cccc2C)c(OCC(C)C)n1
InChIInChI=1S/C19H25NO3S/c1-12(2)11-23-19-18(15(5)10-16(6)20-19)24(21,22)17-13(3)8-7-9-14(17)4/h7-10,12H,11H2,1-6H3
InChIKeyNJDMXAVKFDXKSS-UHFFFAOYSA-N
MW347.48 g/mol
LogP4.18
Rot. Bonds5

About 3-(2,6-dimethylphenyl)sulfonyl-4,6-dimethyl-2-(2-methylpropoxy)pyridine

3-(2,6-dimethylphenyl)sulfonyl-4,6-dimethyl-2-(2-methylpropoxy)pyridine (PubChem CID 1488517) has the molecular formula C19H25NO3S and a molecular weight of 347.48 g/mol. Its IUPAC name is 3-(2,6-dimethylphenyl)sulfonyl-4,6-dimethyl-2-(2-methylpropoxy)pyridine.

Molecular Properties

Compound Name3-(2,6-dimethylphenyl)sulfonyl-4,6-dimethyl-2-(2-methylpropoxy)pyridine
PubChem CID1488517
Molecular FormulaC19H25NO3S
Molecular Weight347.48 g/mol
Exact Mass347.16
IUPAC Name3-(2,6-dimethylphenyl)sulfonyl-4,6-dimethyl-2-(2-methylpropoxy)pyridine
SMILESCc1cc(C)c(S(=O)(=O)c2c(C)cccc2C)c(OCC(C)C)n1
InChIInChI=1S/C19H25NO3S/c1-12(2)11-23-19-18(15(5)10-16(6)20-19)24(21,22)17-13(3)8-7-9-14(17)4/h7-10,12H,11H2,1-6H3
InChIKeyNJDMXAVKFDXKSS-UHFFFAOYSA-N
XLogP4.18
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylphenyl)sulfonyl-4,6-dimethyl-2-(2-methylpropoxy)pyridine?
The IUPAC name of 3-(2,6-dimethylphenyl)sulfonyl-4,6-dimethyl-2-(2-methylpropoxy)pyridine (CID 1488517) is 3-(2,6-dimethylphenyl)sulfonyl-4,6-dimethyl-2-(2-methylpropoxy)pyridine.
What is the SMILES notation for 3-(2,6-dimethylphenyl)sulfonyl-4,6-dimethyl-2-(2-methylpropoxy)pyridine?
The canonical SMILES for 3-(2,6-dimethylphenyl)sulfonyl-4,6-dimethyl-2-(2-methylpropoxy)pyridine is Cc1cc(C)c(S(=O)(=O)c2c(C)cccc2C)c(OCC(C)C)n1.
What is the InChIKey of 3-(2,6-dimethylphenyl)sulfonyl-4,6-dimethyl-2-(2-methylpropoxy)pyridine?
The InChIKey is NJDMXAVKFDXKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3S/c1-12(2)11-23-19-18(15(5)10-16(6)20-19)24(21,22)17-13(3)8-7-9-14(17)4/h7-10,12H,11H2,1-6H3.
What are the key properties of 3-(2,6-dimethylphenyl)sulfonyl-4,6-dimethyl-2-(2-methylpropoxy)pyridine?
3-(2,6-dimethylphenyl)sulfonyl-4,6-dimethyl-2-(2-methylpropoxy)pyridine has a molecular weight of 347.48 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylphenyl)sulfonyl-4,6-dimethyl-2-(2-methylpropoxy)pyridine is sourced from PubChem (CID 1488517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).