4-phenyl-1-(2,4,6-trimethylphenyl)sulfonyl-3,6-dihydro-2H-pyridine

C20H23NO2S — CID 24979868

IUPAC4-phenyl-1-(2,4,6-trimethylphenyl)sulfonyl-3,6-dihydro-2H-pyridine
SMILESCc1cc(C)c(S(=O)(=O)N2CC=C(c3ccccc3)CC2)c(C)c1
InChIInChI=1S/C20H23NO2S/c1-15-13-16(2)20(17(3)14-15)24(22,23)21-11-9-19(10-12-21)18-7-5-4-6-8-18/h4-9,13-14H,10-12H2,1-3H3
InChIKeyYMTLYAMUOXKYJH-UHFFFAOYSA-N
MW341.48 g/mol
LogP4.09
Rot. Bonds3

About 4-phenyl-1-(2,4,6-trimethylphenyl)sulfonyl-3,6-dihydro-2H-pyridine

4-phenyl-1-(2,4,6-trimethylphenyl)sulfonyl-3,6-dihydro-2H-pyridine (PubChem CID 24979868) has the molecular formula C20H23NO2S and a molecular weight of 341.48 g/mol. Its IUPAC name is 4-phenyl-1-(2,4,6-trimethylphenyl)sulfonyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name4-phenyl-1-(2,4,6-trimethylphenyl)sulfonyl-3,6-dihydro-2H-pyridine
PubChem CID24979868
Molecular FormulaC20H23NO2S
Molecular Weight341.48 g/mol
Exact Mass341.14
IUPAC Name4-phenyl-1-(2,4,6-trimethylphenyl)sulfonyl-3,6-dihydro-2H-pyridine
SMILESCc1cc(C)c(S(=O)(=O)N2CC=C(c3ccccc3)CC2)c(C)c1
InChIInChI=1S/C20H23NO2S/c1-15-13-16(2)20(17(3)14-15)24(22,23)21-11-9-19(10-12-21)18-7-5-4-6-8-18/h4-9,13-14H,10-12H2,1-3H3
InChIKeyYMTLYAMUOXKYJH-UHFFFAOYSA-N
XLogP4.09
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1-(2,4,6-trimethylphenyl)sulfonyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 4-phenyl-1-(2,4,6-trimethylphenyl)sulfonyl-3,6-dihydro-2H-pyridine (CID 24979868) is 4-phenyl-1-(2,4,6-trimethylphenyl)sulfonyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 4-phenyl-1-(2,4,6-trimethylphenyl)sulfonyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 4-phenyl-1-(2,4,6-trimethylphenyl)sulfonyl-3,6-dihydro-2H-pyridine is Cc1cc(C)c(S(=O)(=O)N2CC=C(c3ccccc3)CC2)c(C)c1.
What is the InChIKey of 4-phenyl-1-(2,4,6-trimethylphenyl)sulfonyl-3,6-dihydro-2H-pyridine?
The InChIKey is YMTLYAMUOXKYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2S/c1-15-13-16(2)20(17(3)14-15)24(22,23)21-11-9-19(10-12-21)18-7-5-4-6-8-18/h4-9,13-14H,10-12H2,1-3H3.
What are the key properties of 4-phenyl-1-(2,4,6-trimethylphenyl)sulfonyl-3,6-dihydro-2H-pyridine?
4-phenyl-1-(2,4,6-trimethylphenyl)sulfonyl-3,6-dihydro-2H-pyridine has a molecular weight of 341.48 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1-(2,4,6-trimethylphenyl)sulfonyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 24979868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).