(2R)-2-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine

C18H21NO3S — CID 124500770

IUPAC(2R)-2-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine
SMILESCOc1ccccc1[C@H]1CCCN1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C18H21NO3S/c1-14-9-11-15(12-10-14)23(20,21)19-13-5-7-17(19)16-6-3-4-8-18(16)22-2/h3-4,6,8-12,17H,5,7,13H2,1-2H3/t17-/m1/s1
InChIKeyIHPRNRHPYQRTJN-QGZVFWFLSA-N
MW331.44 g/mol
LogP3.53
Rot. Bonds4

About (2R)-2-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine

(2R)-2-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine (PubChem CID 124500770) has the molecular formula C18H21NO3S and a molecular weight of 331.44 g/mol. Its IUPAC name is (2R)-2-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine.

Molecular Properties

Compound Name(2R)-2-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine
PubChem CID124500770
Molecular FormulaC18H21NO3S
Molecular Weight331.44 g/mol
Exact Mass331.12
IUPAC Name(2R)-2-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine
SMILESCOc1ccccc1[C@H]1CCCN1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C18H21NO3S/c1-14-9-11-15(12-10-14)23(20,21)19-13-5-7-17(19)16-6-3-4-8-18(16)22-2/h3-4,6,8-12,17H,5,7,13H2,1-2H3/t17-/m1/s1
InChIKeyIHPRNRHPYQRTJN-QGZVFWFLSA-N
XLogP3.53
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine
CID 124500797
(2R)-2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine
CID 51856371
(2R)-2-(2-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine
CID 51856499
(2R)-1-(3,4-dimethoxyphenyl)sulfonyl-2-(2-methylphenyl)pyrrolidine
CID 51856148
2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylazepane
CID 53096111
(2S)-1-(4-fluorophenyl)sulfonyl-2-(2-methylphenyl)pyrrolidine
CID 51855972
4-[(2S)-2-(2-methoxyphenyl)pyrrolidin-1-yl]sulfonyl-3,5-dimethyl-1H-pyrazole
CID 92628820
4-[(2S)-2-(2-methoxyphenyl)pyrrolidin-1-yl]sulfonyl-1-(oxan-4-yl)pyrazole
CID 99633642
(2R)-2-(2,4-dimethoxyphenyl)-1-(3,4-dimethylphenyl)sulfonylpyrrolidine
CID 26531225
2-[2-(2-methoxyphenyl)ethyl]-1-(4-methylphenyl)sulfonylpiperidine
CID 155269120
(2S)-1-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)pyrrolidine
CID 25498073
2-ethylsulfanyl-3-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridine
CID 102542110

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine?
The IUPAC name of (2R)-2-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine (CID 124500770) is (2R)-2-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine.
What is the SMILES notation for (2R)-2-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine?
The canonical SMILES for (2R)-2-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine is COc1ccccc1[C@H]1CCCN1S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of (2R)-2-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine?
The InChIKey is IHPRNRHPYQRTJN-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H21NO3S/c1-14-9-11-15(12-10-14)23(20,21)19-13-5-7-17(19)16-6-3-4-8-18(16)22-2/h3-4,6,8-12,17H,5,7,13H2,1-2H3/t17-/m1/s1.
What are the key properties of (2R)-2-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine?
(2R)-2-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine has a molecular weight of 331.44 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine is sourced from PubChem (CID 124500770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).