3-(4-methoxyphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine

C20H25NO3S — CID 75932086

IUPAC3-(4-methoxyphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine
SMILESCOc1ccc(C2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)C2)cc1
InChIInChI=1S/C20H25NO3S/c1-14-11-15(2)20(16(3)12-14)25(22,23)21-10-9-18(13-21)17-5-7-19(24-4)8-6-17/h5-8,11-12,18H,9-10,13H2,1-4H3
InChIKeySBZUOTKXSUFMMV-UHFFFAOYSA-N
MW359.49 g/mol
LogP3.80
Rot. Bonds4

About 3-(4-methoxyphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine

3-(4-methoxyphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine (PubChem CID 75932086) has the molecular formula C20H25NO3S and a molecular weight of 359.49 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine
PubChem CID75932086
Molecular FormulaC20H25NO3S
Molecular Weight359.49 g/mol
Exact Mass359.16
IUPAC Name3-(4-methoxyphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine
SMILESCOc1ccc(C2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)C2)cc1
InChIInChI=1S/C20H25NO3S/c1-14-11-15(2)20(16(3)12-14)25(22,23)21-10-9-18(13-21)17-5-7-19(24-4)8-6-17/h5-8,11-12,18H,9-10,13H2,1-4H3
InChIKeySBZUOTKXSUFMMV-UHFFFAOYSA-N
XLogP3.80
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.49
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine?
The IUPAC name of 3-(4-methoxyphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine (CID 75932086) is 3-(4-methoxyphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine.
What is the SMILES notation for 3-(4-methoxyphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine?
The canonical SMILES for 3-(4-methoxyphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine is COc1ccc(C2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)C2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine?
The InChIKey is SBZUOTKXSUFMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3S/c1-14-11-15(2)20(16(3)12-14)25(22,23)21-10-9-18(13-21)17-5-7-19(24-4)8-6-17/h5-8,11-12,18H,9-10,13H2,1-4H3.
What are the key properties of 3-(4-methoxyphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine?
3-(4-methoxyphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine has a molecular weight of 359.49 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine is sourced from PubChem (CID 75932086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).