4,6-dimethyl-3-(2-methylphenyl)sulfonyl-2-phenoxypyridine

C20H19NO3S — CID 1471061

IUPAC4,6-dimethyl-3-(2-methylphenyl)sulfonyl-2-phenoxypyridine
SMILESCc1cc(C)c(S(=O)(=O)c2ccccc2C)c(Oc2ccccc2)n1
InChIInChI=1S/C20H19NO3S/c1-14-9-7-8-12-18(14)25(22,23)19-15(2)13-16(3)21-20(19)24-17-10-5-4-6-11-17/h4-13H,1-3H3
InChIKeyKGABMIQTKNXAAH-UHFFFAOYSA-N
MW353.44 g/mol
LogP4.63
Rot. Bonds4

About 4,6-dimethyl-3-(2-methylphenyl)sulfonyl-2-phenoxypyridine

4,6-dimethyl-3-(2-methylphenyl)sulfonyl-2-phenoxypyridine (PubChem CID 1471061) has the molecular formula C20H19NO3S and a molecular weight of 353.44 g/mol. Its IUPAC name is 4,6-dimethyl-3-(2-methylphenyl)sulfonyl-2-phenoxypyridine.

Molecular Properties

Compound Name4,6-dimethyl-3-(2-methylphenyl)sulfonyl-2-phenoxypyridine
PubChem CID1471061
Molecular FormulaC20H19NO3S
Molecular Weight353.44 g/mol
Exact Mass353.11
IUPAC Name4,6-dimethyl-3-(2-methylphenyl)sulfonyl-2-phenoxypyridine
SMILESCc1cc(C)c(S(=O)(=O)c2ccccc2C)c(Oc2ccccc2)n1
InChIInChI=1S/C20H19NO3S/c1-14-9-7-8-12-18(14)25(22,23)19-15(2)13-16(3)21-20(19)24-17-10-5-4-6-11-17/h4-13H,1-3H3
InChIKeyKGABMIQTKNXAAH-UHFFFAOYSA-N
XLogP4.63
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-3-(2-methylphenyl)sulfonyl-2-phenoxypyridine?
The IUPAC name of 4,6-dimethyl-3-(2-methylphenyl)sulfonyl-2-phenoxypyridine (CID 1471061) is 4,6-dimethyl-3-(2-methylphenyl)sulfonyl-2-phenoxypyridine.
What is the SMILES notation for 4,6-dimethyl-3-(2-methylphenyl)sulfonyl-2-phenoxypyridine?
The canonical SMILES for 4,6-dimethyl-3-(2-methylphenyl)sulfonyl-2-phenoxypyridine is Cc1cc(C)c(S(=O)(=O)c2ccccc2C)c(Oc2ccccc2)n1.
What is the InChIKey of 4,6-dimethyl-3-(2-methylphenyl)sulfonyl-2-phenoxypyridine?
The InChIKey is KGABMIQTKNXAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3S/c1-14-9-7-8-12-18(14)25(22,23)19-15(2)13-16(3)21-20(19)24-17-10-5-4-6-11-17/h4-13H,1-3H3.
What are the key properties of 4,6-dimethyl-3-(2-methylphenyl)sulfonyl-2-phenoxypyridine?
4,6-dimethyl-3-(2-methylphenyl)sulfonyl-2-phenoxypyridine has a molecular weight of 353.44 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-3-(2-methylphenyl)sulfonyl-2-phenoxypyridine is sourced from PubChem (CID 1471061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).