(2R)-2-(2,4-dimethoxyphenyl)-1-(3,4-dimethylphenyl)sulfonylpyrrolidine

C20H25NO4S — CID 26531225

IUPAC(2R)-2-(2,4-dimethoxyphenyl)-1-(3,4-dimethylphenyl)sulfonylpyrrolidine
SMILESCOc1ccc([C@H]2CCCN2S(=O)(=O)c2ccc(C)c(C)c2)c(OC)c1
InChIInChI=1S/C20H25NO4S/c1-14-7-9-17(12-15(14)2)26(22,23)21-11-5-6-19(21)18-10-8-16(24-3)13-20(18)25-4/h7-10,12-13,19H,5-6,11H2,1-4H3/t19-/m1/s1
InChIKeyWYVXOUMSXBYKEE-LJQANCHMSA-N
MW375.49 g/mol
LogP3.85
Rot. Bonds5

About (2R)-2-(2,4-dimethoxyphenyl)-1-(3,4-dimethylphenyl)sulfonylpyrrolidine

(2R)-2-(2,4-dimethoxyphenyl)-1-(3,4-dimethylphenyl)sulfonylpyrrolidine (PubChem CID 26531225) has the molecular formula C20H25NO4S and a molecular weight of 375.49 g/mol. Its IUPAC name is (2R)-2-(2,4-dimethoxyphenyl)-1-(3,4-dimethylphenyl)sulfonylpyrrolidine.

Molecular Properties

Compound Name(2R)-2-(2,4-dimethoxyphenyl)-1-(3,4-dimethylphenyl)sulfonylpyrrolidine
PubChem CID26531225
Molecular FormulaC20H25NO4S
Molecular Weight375.49 g/mol
Exact Mass375.15
IUPAC Name(2R)-2-(2,4-dimethoxyphenyl)-1-(3,4-dimethylphenyl)sulfonylpyrrolidine
SMILESCOc1ccc([C@H]2CCCN2S(=O)(=O)c2ccc(C)c(C)c2)c(OC)c1
InChIInChI=1S/C20H25NO4S/c1-14-7-9-17(12-15(14)2)26(22,23)21-11-5-6-19(21)18-10-8-16(24-3)13-20(18)25-4/h7-10,12-13,19H,5-6,11H2,1-4H3/t19-/m1/s1
InChIKeyWYVXOUMSXBYKEE-LJQANCHMSA-N
XLogP3.85
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]sulfonylbenzoate
CID 55515450
5-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]sulfonyl-2,4-dimethyl-1,3-thiazole
CID 95788624
1-(5-chlorothiophen-2-yl)sulfonyl-2-(2,4-dimethoxyphenyl)pyrrolidine
CID 24511085
(2R)-1-(3,4-dimethoxyphenyl)sulfonyl-2-(2-methylphenyl)pyrrolidine
CID 51856148
2-(2,5-dimethoxyphenyl)-1-(4-nitrophenyl)sulfonylpyrrolidine
CID 17404197
(2R)-2-(2,5-dimethoxyphenyl)-1-(4-ethylphenyl)sulfonylpyrrolidine
CID 9190253
(2S)-1-(3-chloro-4-fluorophenyl)sulfonyl-2-(2,5-dimethoxyphenyl)pyrrolidine
CID 9190208
4-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]sulfonylmorpholine
CID 51335623
(2S)-2-(2,5-dimethoxyphenyl)-1-(4-fluoro-3-nitrophenyl)sulfonylpyrrolidine
CID 9190240
5-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one
CID 9190196
2-(2,5-dimethoxyphenyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidine
CID 46823397
(2R)-2-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine
CID 124500770

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,4-dimethoxyphenyl)-1-(3,4-dimethylphenyl)sulfonylpyrrolidine?
The IUPAC name of (2R)-2-(2,4-dimethoxyphenyl)-1-(3,4-dimethylphenyl)sulfonylpyrrolidine (CID 26531225) is (2R)-2-(2,4-dimethoxyphenyl)-1-(3,4-dimethylphenyl)sulfonylpyrrolidine.
What is the SMILES notation for (2R)-2-(2,4-dimethoxyphenyl)-1-(3,4-dimethylphenyl)sulfonylpyrrolidine?
The canonical SMILES for (2R)-2-(2,4-dimethoxyphenyl)-1-(3,4-dimethylphenyl)sulfonylpyrrolidine is COc1ccc([C@H]2CCCN2S(=O)(=O)c2ccc(C)c(C)c2)c(OC)c1.
What is the InChIKey of (2R)-2-(2,4-dimethoxyphenyl)-1-(3,4-dimethylphenyl)sulfonylpyrrolidine?
The InChIKey is WYVXOUMSXBYKEE-LJQANCHMSA-N. The full InChI is InChI=1S/C20H25NO4S/c1-14-7-9-17(12-15(14)2)26(22,23)21-11-5-6-19(21)18-10-8-16(24-3)13-20(18)25-4/h7-10,12-13,19H,5-6,11H2,1-4H3/t19-/m1/s1.
What are the key properties of (2R)-2-(2,4-dimethoxyphenyl)-1-(3,4-dimethylphenyl)sulfonylpyrrolidine?
(2R)-2-(2,4-dimethoxyphenyl)-1-(3,4-dimethylphenyl)sulfonylpyrrolidine has a molecular weight of 375.49 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,4-dimethoxyphenyl)-1-(3,4-dimethylphenyl)sulfonylpyrrolidine is sourced from PubChem (CID 26531225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).