(3R)-3-(4-fluorophenyl)-1-[(4-methylsulfonylphenyl)methyl]pyrrolidine

C18H20FNO2S — CID 99943201

IUPAC(3R)-3-(4-fluorophenyl)-1-[(4-methylsulfonylphenyl)methyl]pyrrolidine
SMILESCS(=O)(=O)c1ccc(CN2CC[C@H](c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C18H20FNO2S/c1-23(21,22)18-8-2-14(3-9-18)12-20-11-10-16(13-20)15-4-6-17(19)7-5-15/h2-9,16H,10-13H2,1H3/t16-/m0/s1
InChIKeyUHKYOKPLQHPJPI-INIZCTEOSA-N
MW333.43 g/mol
LogP3.22
Rot. Bonds4

About (3R)-3-(4-fluorophenyl)-1-[(4-methylsulfonylphenyl)methyl]pyrrolidine

(3R)-3-(4-fluorophenyl)-1-[(4-methylsulfonylphenyl)methyl]pyrrolidine (PubChem CID 99943201) has the molecular formula C18H20FNO2S and a molecular weight of 333.43 g/mol. Its IUPAC name is (3R)-3-(4-fluorophenyl)-1-[(4-methylsulfonylphenyl)methyl]pyrrolidine.

Molecular Properties

Compound Name(3R)-3-(4-fluorophenyl)-1-[(4-methylsulfonylphenyl)methyl]pyrrolidine
PubChem CID99943201
Molecular FormulaC18H20FNO2S
Molecular Weight333.43 g/mol
Exact Mass333.12
IUPAC Name(3R)-3-(4-fluorophenyl)-1-[(4-methylsulfonylphenyl)methyl]pyrrolidine
SMILESCS(=O)(=O)c1ccc(CN2CC[C@H](c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C18H20FNO2S/c1-23(21,22)18-8-2-14(3-9-18)12-20-11-10-16(13-20)15-4-6-17(19)7-5-15/h2-9,16H,10-13H2,1H3/t16-/m0/s1
InChIKeyUHKYOKPLQHPJPI-INIZCTEOSA-N
XLogP3.22
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-fluorophenyl)-1-[(4-methylsulfonylphenyl)methyl]pyrrolidine?
The IUPAC name of (3R)-3-(4-fluorophenyl)-1-[(4-methylsulfonylphenyl)methyl]pyrrolidine (CID 99943201) is (3R)-3-(4-fluorophenyl)-1-[(4-methylsulfonylphenyl)methyl]pyrrolidine.
What is the SMILES notation for (3R)-3-(4-fluorophenyl)-1-[(4-methylsulfonylphenyl)methyl]pyrrolidine?
The canonical SMILES for (3R)-3-(4-fluorophenyl)-1-[(4-methylsulfonylphenyl)methyl]pyrrolidine is CS(=O)(=O)c1ccc(CN2CC[C@H](c3ccc(F)cc3)C2)cc1.
What is the InChIKey of (3R)-3-(4-fluorophenyl)-1-[(4-methylsulfonylphenyl)methyl]pyrrolidine?
The InChIKey is UHKYOKPLQHPJPI-INIZCTEOSA-N. The full InChI is InChI=1S/C18H20FNO2S/c1-23(21,22)18-8-2-14(3-9-18)12-20-11-10-16(13-20)15-4-6-17(19)7-5-15/h2-9,16H,10-13H2,1H3/t16-/m0/s1.
What are the key properties of (3R)-3-(4-fluorophenyl)-1-[(4-methylsulfonylphenyl)methyl]pyrrolidine?
(3R)-3-(4-fluorophenyl)-1-[(4-methylsulfonylphenyl)methyl]pyrrolidine has a molecular weight of 333.43 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-fluorophenyl)-1-[(4-methylsulfonylphenyl)methyl]pyrrolidine is sourced from PubChem (CID 99943201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).