(2R)-2-(4-methoxyphenyl)-1-[4-(2-methylpropyl)phenyl]sulfonylpyrrolidine

C21H27NO3S — CID 94080813

IUPAC(2R)-2-(4-methoxyphenyl)-1-[4-(2-methylpropyl)phenyl]sulfonylpyrrolidine
SMILESCOc1ccc([C@H]2CCCN2S(=O)(=O)c2ccc(CC(C)C)cc2)cc1
InChIInChI=1S/C21H27NO3S/c1-16(2)15-17-6-12-20(13-7-17)26(23,24)22-14-4-5-21(22)18-8-10-19(25-3)11-9-18/h6-13,16,21H,4-5,14-15H2,1-3H3/t21-/m1/s1
InChIKeySIHPDTAPWDAAHA-OAQYLSRUSA-N
MW373.52 g/mol
LogP4.42
Rot. Bonds6

About (2R)-2-(4-methoxyphenyl)-1-[4-(2-methylpropyl)phenyl]sulfonylpyrrolidine

(2R)-2-(4-methoxyphenyl)-1-[4-(2-methylpropyl)phenyl]sulfonylpyrrolidine (PubChem CID 94080813) has the molecular formula C21H27NO3S and a molecular weight of 373.52 g/mol. Its IUPAC name is (2R)-2-(4-methoxyphenyl)-1-[4-(2-methylpropyl)phenyl]sulfonylpyrrolidine.

Molecular Properties

Compound Name(2R)-2-(4-methoxyphenyl)-1-[4-(2-methylpropyl)phenyl]sulfonylpyrrolidine
PubChem CID94080813
Molecular FormulaC21H27NO3S
Molecular Weight373.52 g/mol
Exact Mass373.17
IUPAC Name(2R)-2-(4-methoxyphenyl)-1-[4-(2-methylpropyl)phenyl]sulfonylpyrrolidine
SMILESCOc1ccc([C@H]2CCCN2S(=O)(=O)c2ccc(CC(C)C)cc2)cc1
InChIInChI=1S/C21H27NO3S/c1-16(2)15-17-6-12-20(13-7-17)26(23,24)22-14-4-5-21(22)18-8-10-19(25-3)11-9-18/h6-13,16,21H,4-5,14-15H2,1-3H3/t21-/m1/s1
InChIKeySIHPDTAPWDAAHA-OAQYLSRUSA-N
XLogP4.42
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)sulfonyl-2-(4-methoxyphenyl)pyrrolidine
CID 17486697
2-(4-methoxyphenyl)-1-[4-(trifluoromethoxy)phenyl]sulfonylpyrrolidine
CID 46799982
(2S)-1-(benzenesulfonyl)-2-(4-methoxyphenyl)azepane
CID 38257339
(2R)-1-(benzenesulfonyl)-2-(4-methoxyphenyl)azepane
CID 38257342
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2-(4-methoxyphenyl)pyrrolidine
CID 134017312
5-methyl-3-[1-[4-(2-methylpropyl)phenyl]sulfonylpyrrolidin-2-yl]-1,2-oxazole
CID 50809596
2-(4-methoxyphenyl)-1-(4-nitrophenyl)sulfonylazepane
CID 53096146
(2R)-2-(4-methoxyphenyl)-N-methyl-N-(2-methylpropyl)pyrrolidine-1-sulfonamide
CID 97260415
4-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]sulfonylbenzamide
CID 27304150
3-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]sulfonylbenzenesulfonamide
CID 30287737
(2S)-1-(4-fluoro-3-methylsulfonylphenyl)sulfonyl-2-(4-methoxyphenyl)pyrrolidine
CID 51967628
(2R)-2-(4-chlorophenyl)-1-(4-ethylphenyl)sulfonylpyrrolidine
CID 51856609

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-methoxyphenyl)-1-[4-(2-methylpropyl)phenyl]sulfonylpyrrolidine?
The IUPAC name of (2R)-2-(4-methoxyphenyl)-1-[4-(2-methylpropyl)phenyl]sulfonylpyrrolidine (CID 94080813) is (2R)-2-(4-methoxyphenyl)-1-[4-(2-methylpropyl)phenyl]sulfonylpyrrolidine.
What is the SMILES notation for (2R)-2-(4-methoxyphenyl)-1-[4-(2-methylpropyl)phenyl]sulfonylpyrrolidine?
The canonical SMILES for (2R)-2-(4-methoxyphenyl)-1-[4-(2-methylpropyl)phenyl]sulfonylpyrrolidine is COc1ccc([C@H]2CCCN2S(=O)(=O)c2ccc(CC(C)C)cc2)cc1.
What is the InChIKey of (2R)-2-(4-methoxyphenyl)-1-[4-(2-methylpropyl)phenyl]sulfonylpyrrolidine?
The InChIKey is SIHPDTAPWDAAHA-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H27NO3S/c1-16(2)15-17-6-12-20(13-7-17)26(23,24)22-14-4-5-21(22)18-8-10-19(25-3)11-9-18/h6-13,16,21H,4-5,14-15H2,1-3H3/t21-/m1/s1.
What are the key properties of (2R)-2-(4-methoxyphenyl)-1-[4-(2-methylpropyl)phenyl]sulfonylpyrrolidine?
(2R)-2-(4-methoxyphenyl)-1-[4-(2-methylpropyl)phenyl]sulfonylpyrrolidine has a molecular weight of 373.52 g/mol, XLogP of 4.42, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-methoxyphenyl)-1-[4-(2-methylpropyl)phenyl]sulfonylpyrrolidine is sourced from PubChem (CID 94080813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).