(2R)-1-(2,5-difluorophenyl)sulfonyl-2-(3-methylphenyl)pyrrolidine

C17H17F2NO2S — CID 51855807

IUPAC(2R)-1-(2,5-difluorophenyl)sulfonyl-2-(3-methylphenyl)pyrrolidine
SMILESCc1cccc([C@H]2CCCN2S(=O)(=O)c2cc(F)ccc2F)c1
InChIInChI=1S/C17H17F2NO2S/c1-12-4-2-5-13(10-12)16-6-3-9-20(16)23(21,22)17-11-14(18)7-8-15(17)19/h2,4-5,7-8,10-11,16H,3,6,9H2,1H3/t16-/m1/s1
InChIKeyWWBGETKPJXJSNS-MRXNPFEDSA-N
MW337.39 g/mol
LogP3.80
Rot. Bonds3

About (2R)-1-(2,5-difluorophenyl)sulfonyl-2-(3-methylphenyl)pyrrolidine

(2R)-1-(2,5-difluorophenyl)sulfonyl-2-(3-methylphenyl)pyrrolidine (PubChem CID 51855807) has the molecular formula C17H17F2NO2S and a molecular weight of 337.39 g/mol. Its IUPAC name is (2R)-1-(2,5-difluorophenyl)sulfonyl-2-(3-methylphenyl)pyrrolidine.

Molecular Properties

Compound Name(2R)-1-(2,5-difluorophenyl)sulfonyl-2-(3-methylphenyl)pyrrolidine
PubChem CID51855807
Molecular FormulaC17H17F2NO2S
Molecular Weight337.39 g/mol
Exact Mass337.09
IUPAC Name(2R)-1-(2,5-difluorophenyl)sulfonyl-2-(3-methylphenyl)pyrrolidine
SMILESCc1cccc([C@H]2CCCN2S(=O)(=O)c2cc(F)ccc2F)c1
InChIInChI=1S/C17H17F2NO2S/c1-12-4-2-5-13(10-12)16-6-3-9-20(16)23(21,22)17-11-14(18)7-8-15(17)19/h2,4-5,7-8,10-11,16H,3,6,9H2,1H3/t16-/m1/s1
InChIKeyWWBGETKPJXJSNS-MRXNPFEDSA-N
XLogP3.80
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2R)-1-(2,5-difluorophenyl)sulfonyl-2-(3-methylphenyl)pyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-1-(2,5-difluorophenyl)sulfonyl-2-(2-methylphenyl)pyrrolidine
CID 51855969
1-(4-fluorophenyl)sulfonyl-2-(3-methylphenyl)azepane
CID 53096117
(2S)-2-(3-methylphenyl)-1-methylsulfonylpyrrolidine
CID 51694768
1-(2,5-difluorophenyl)sulfonyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine
CID 78797686
(2S)-1-(3-chloro-4-fluorophenyl)sulfonyl-2-(3-methylphenyl)azepane
CID 95079122
(2S)-1-(4-chlorophenyl)sulfonyl-2-(3-methylphenyl)azepane
CID 95078859
(2S)-2-(2-chlorophenyl)-1-(2,5-difluorophenyl)sulfonylpyrrolidine
CID 51855932
1-(2,5-difluorophenyl)sulfonyl-2-(3-methylthiophen-2-yl)azepane
CID 22586834
(2R)-2-(3-methylphenyl)-1-(2-nitrophenyl)sulfonylazepane
CID 95079015
1-(difluoromethyl)-4-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]sulfonyl-5-methylpyrazole
CID 51856001
(2S)-1-(5-bromothiophen-2-yl)sulfonyl-2-(3-methylphenyl)pyrrolidine
CID 94080774
(2S)-1-(3-chloro-4-fluorophenyl)sulfonyl-2-(3-fluorophenyl)pyrrolidine
CID 51856127

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2,5-difluorophenyl)sulfonyl-2-(3-methylphenyl)pyrrolidine?
The IUPAC name of (2R)-1-(2,5-difluorophenyl)sulfonyl-2-(3-methylphenyl)pyrrolidine (CID 51855807) is (2R)-1-(2,5-difluorophenyl)sulfonyl-2-(3-methylphenyl)pyrrolidine.
What is the SMILES notation for (2R)-1-(2,5-difluorophenyl)sulfonyl-2-(3-methylphenyl)pyrrolidine?
The canonical SMILES for (2R)-1-(2,5-difluorophenyl)sulfonyl-2-(3-methylphenyl)pyrrolidine is Cc1cccc([C@H]2CCCN2S(=O)(=O)c2cc(F)ccc2F)c1.
What is the InChIKey of (2R)-1-(2,5-difluorophenyl)sulfonyl-2-(3-methylphenyl)pyrrolidine?
The InChIKey is WWBGETKPJXJSNS-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H17F2NO2S/c1-12-4-2-5-13(10-12)16-6-3-9-20(16)23(21,22)17-11-14(18)7-8-15(17)19/h2,4-5,7-8,10-11,16H,3,6,9H2,1H3/t16-/m1/s1.
What are the key properties of (2R)-1-(2,5-difluorophenyl)sulfonyl-2-(3-methylphenyl)pyrrolidine?
(2R)-1-(2,5-difluorophenyl)sulfonyl-2-(3-methylphenyl)pyrrolidine has a molecular weight of 337.39 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2,5-difluorophenyl)sulfonyl-2-(3-methylphenyl)pyrrolidine is sourced from PubChem (CID 51855807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).