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

C17H18FNO2S — CID 51856499

IUPAC(2R)-2-(2-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine
SMILESCc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccccc2F)cc1
InChIInChI=1S/C17H18FNO2S/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
InChIKeyIDMSTPZAGKIQPI-QGZVFWFLSA-N
MW319.40 g/mol
LogP3.66
Rot. Bonds3

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

(2R)-2-(2-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine (PubChem CID 51856499) has the molecular formula C17H18FNO2S and a molecular weight of 319.40 g/mol. Its IUPAC name is (2R)-2-(2-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine.

Molecular Properties

Compound Name(2R)-2-(2-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine
PubChem CID51856499
Molecular FormulaC17H18FNO2S
Molecular Weight319.40 g/mol
Exact Mass319.10
IUPAC Name(2R)-2-(2-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine
SMILESCc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccccc2F)cc1
InChIInChI=1S/C17H18FNO2S/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
InChIKeyIDMSTPZAGKIQPI-QGZVFWFLSA-N
XLogP3.66
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-(benzenesulfonyl)-2-(2-fluorophenyl)pyrrolidine
CID 51856093
(2R)-2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine
CID 51856371
(2S)-1-(4-ethoxyphenyl)sulfonyl-2-(2-fluorophenyl)pyrrolidine
CID 51856005
(2R)-2-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine
CID 124500770
(2S)-1-(4-fluorophenyl)sulfonyl-2-(2-methylphenyl)pyrrolidine
CID 51855972
2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylazepane
CID 53096111
(2R)-2-(2-fluorophenyl)-1-methylsulfonylpyrrolidine
CID 51694778
(2S)-2-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine
CID 124500797
(2S)-1-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)pyrrolidine
CID 25498073
2-ethylsulfanyl-3-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridine
CID 102542110
1-(difluoromethyl)-4-[(2S)-2-(2-fluorophenyl)pyrrolidin-1-yl]sulfonyl-5-methylpyrazole
CID 51855636
(2S)-1-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)azepane
CID 95078895

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine?
The IUPAC name of (2R)-2-(2-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine (CID 51856499) is (2R)-2-(2-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine.
What is the SMILES notation for (2R)-2-(2-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine?
The canonical SMILES for (2R)-2-(2-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine is Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccccc2F)cc1.
What is the InChIKey of (2R)-2-(2-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine?
The InChIKey is IDMSTPZAGKIQPI-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H18FNO2S/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-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine?
(2R)-2-(2-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine has a molecular weight of 319.40 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine is sourced from PubChem (CID 51856499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).