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

C17H18ClNO2S — CID 51856371

IUPAC(2R)-2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine
SMILESCc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccccc2Cl)cc1
InChIInChI=1S/C17H18ClNO2S/c1-13-8-10-14(11-9-13)22(20,21)19-12-4-7-17(19)15-5-2-3-6-16(15)18/h2-3,5-6,8-11,17H,4,7,12H2,1H3/t17-/m1/s1
InChIKeyFZXGEIHSSXYVQL-QGZVFWFLSA-N
MW335.86 g/mol
LogP4.17
Rot. Bonds3

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

(2R)-2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine (PubChem CID 51856371) has the molecular formula C17H18ClNO2S and a molecular weight of 335.86 g/mol. Its IUPAC name is (2R)-2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine.

Molecular Properties

Compound Name(2R)-2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine
PubChem CID51856371
Molecular FormulaC17H18ClNO2S
Molecular Weight335.86 g/mol
Exact Mass335.07
IUPAC Name(2R)-2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine
SMILESCc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccccc2Cl)cc1
InChIInChI=1S/C17H18ClNO2S/c1-13-8-10-14(11-9-13)22(20,21)19-12-4-7-17(19)15-5-2-3-6-16(15)18/h2-3,5-6,8-11,17H,4,7,12H2,1H3/t17-/m1/s1
InChIKeyFZXGEIHSSXYVQL-QGZVFWFLSA-N
XLogP4.17
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.86
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylazepane
CID 53096111
1-(benzenesulfonyl)-2-(2-chlorophenyl)azepane
CID 53096134
(2R)-2-(2-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine
CID 51856499
(2S)-2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylaziridine
CID 71663240
(2R)-2-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine
CID 124500770
(2S)-2-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine
CID 124500797
(2S)-2-(2-chlorophenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidine
CID 51856369
2-(2-chlorophenyl)-4-methylidene-1-(4-methylphenyl)sulfonylpyrrolidine
CID 86167152
(2S)-1-(4-fluorophenyl)sulfonyl-2-(2-methylphenyl)pyrrolidine
CID 51855972
2-ethoxy-3-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]pyridine
CID 102539403
2-ethylsulfanyl-3-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridine
CID 102542110
(2S)-2-(furan-2-yl)-1-(4-methylphenyl)sulfonylpyrrolidine
CID 51550818

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine?
The IUPAC name of (2R)-2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine (CID 51856371) is (2R)-2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine.
What is the SMILES notation for (2R)-2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine?
The canonical SMILES for (2R)-2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine is Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccccc2Cl)cc1.
What is the InChIKey of (2R)-2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine?
The InChIKey is FZXGEIHSSXYVQL-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H18ClNO2S/c1-13-8-10-14(11-9-13)22(20,21)19-12-4-7-17(19)15-5-2-3-6-16(15)18/h2-3,5-6,8-11,17H,4,7,12H2,1H3/t17-/m1/s1.
What are the key properties of (2R)-2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine?
(2R)-2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine has a molecular weight of 335.86 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine is sourced from PubChem (CID 51856371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).