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

C19H25NO3S — CID 2768950

IUPAC2-(2,2-dimethylpropoxy)-4,6-dimethyl-3-(2-methylphenyl)sulfonylpyridine
SMILESCc1cc(C)c(S(=O)(=O)c2ccccc2C)c(OCC(C)(C)C)n1
InChIInChI=1S/C19H25NO3S/c1-13-9-7-8-10-16(13)24(21,22)17-14(2)11-15(3)20-18(17)23-12-19(4,5)6/h7-11H,12H2,1-6H3
InChIKeyQIOCRCNQUZAYHU-UHFFFAOYSA-N
MW347.48 g/mol
LogP4.26
Rot. Bonds4

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

2-(2,2-dimethylpropoxy)-4,6-dimethyl-3-(2-methylphenyl)sulfonylpyridine (PubChem CID 2768950) has the molecular formula C19H25NO3S and a molecular weight of 347.48 g/mol. Its IUPAC name is 2-(2,2-dimethylpropoxy)-4,6-dimethyl-3-(2-methylphenyl)sulfonylpyridine.

Molecular Properties

Compound Name2-(2,2-dimethylpropoxy)-4,6-dimethyl-3-(2-methylphenyl)sulfonylpyridine
PubChem CID2768950
Molecular FormulaC19H25NO3S
Molecular Weight347.48 g/mol
Exact Mass347.16
IUPAC Name2-(2,2-dimethylpropoxy)-4,6-dimethyl-3-(2-methylphenyl)sulfonylpyridine
SMILESCc1cc(C)c(S(=O)(=O)c2ccccc2C)c(OCC(C)(C)C)n1
InChIInChI=1S/C19H25NO3S/c1-13-9-7-8-10-16(13)24(21,22)17-14(2)11-15(3)20-18(17)23-12-19(4,5)6/h7-11H,12H2,1-6H3
InChIKeyQIOCRCNQUZAYHU-UHFFFAOYSA-N
XLogP4.26
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropoxy)-4,6-dimethyl-3-(2-methylphenyl)sulfonylpyridine?
The IUPAC name of 2-(2,2-dimethylpropoxy)-4,6-dimethyl-3-(2-methylphenyl)sulfonylpyridine (CID 2768950) is 2-(2,2-dimethylpropoxy)-4,6-dimethyl-3-(2-methylphenyl)sulfonylpyridine.
What is the SMILES notation for 2-(2,2-dimethylpropoxy)-4,6-dimethyl-3-(2-methylphenyl)sulfonylpyridine?
The canonical SMILES for 2-(2,2-dimethylpropoxy)-4,6-dimethyl-3-(2-methylphenyl)sulfonylpyridine is Cc1cc(C)c(S(=O)(=O)c2ccccc2C)c(OCC(C)(C)C)n1.
What is the InChIKey of 2-(2,2-dimethylpropoxy)-4,6-dimethyl-3-(2-methylphenyl)sulfonylpyridine?
The InChIKey is QIOCRCNQUZAYHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3S/c1-13-9-7-8-10-16(13)24(21,22)17-14(2)11-15(3)20-18(17)23-12-19(4,5)6/h7-11H,12H2,1-6H3.
What are the key properties of 2-(2,2-dimethylpropoxy)-4,6-dimethyl-3-(2-methylphenyl)sulfonylpyridine?
2-(2,2-dimethylpropoxy)-4,6-dimethyl-3-(2-methylphenyl)sulfonylpyridine has a molecular weight of 347.48 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropoxy)-4,6-dimethyl-3-(2-methylphenyl)sulfonylpyridine is sourced from PubChem (CID 2768950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).