2-[3-(4-fluorophenyl)sulfonylpropyl]pyrrolidine

C13H18FNO2S — CID 112741662

IUPAC2-[3-(4-fluorophenyl)sulfonylpropyl]pyrrolidine
SMILESO=S(=O)(CCCC1CCCN1)c1ccc(F)cc1
InChIInChI=1S/C13H18FNO2S/c14-11-5-7-13(8-6-11)18(16,17)10-2-4-12-3-1-9-15-12/h5-8,12,15H,1-4,9-10H2
InChIKeyMIYSVIIEWMZDQN-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.13
Rot. Bonds5

About 2-[3-(4-fluorophenyl)sulfonylpropyl]pyrrolidine

2-[3-(4-fluorophenyl)sulfonylpropyl]pyrrolidine (PubChem CID 112741662) has the molecular formula C13H18FNO2S and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-[3-(4-fluorophenyl)sulfonylpropyl]pyrrolidine.

Molecular Properties

Compound Name2-[3-(4-fluorophenyl)sulfonylpropyl]pyrrolidine
PubChem CID112741662
Molecular FormulaC13H18FNO2S
Molecular Weight271.36 g/mol
Exact Mass271.10
IUPAC Name2-[3-(4-fluorophenyl)sulfonylpropyl]pyrrolidine
SMILESO=S(=O)(CCCC1CCCN1)c1ccc(F)cc1
InChIInChI=1S/C13H18FNO2S/c14-11-5-7-13(8-6-11)18(16,17)10-2-4-12-3-1-9-15-12/h5-8,12,15H,1-4,9-10H2
InChIKeyMIYSVIIEWMZDQN-UHFFFAOYSA-N
XLogP2.13
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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(2S)-2-[2-(benzenesulfonyl)ethyl]piperidine
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2-[2-(benzenesulfonyl)ethyl]piperidine;hydrochloride
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2-[(4-fluorophenyl)sulfonylmethyl]azetidine
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1-(4-fluorophenyl)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]methanesulfonamide
CID 104972619
(2S)-2-[(4-chlorophenyl)sulfonylmethyl]pyrrolidine
CID 42263000
4-(pyrrolidin-2-ylmethylsulfonyl)phenol
CID 84702717
(2R)-2-[(4-chlorophenyl)sulfonylmethyl]pyrrolidine
CID 86310736
4-(4-fluorophenyl)sulfonylbutan-1-amine
CID 28753396
4-fluoro-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
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CID 104972390

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluorophenyl)sulfonylpropyl]pyrrolidine?
The IUPAC name of 2-[3-(4-fluorophenyl)sulfonylpropyl]pyrrolidine (CID 112741662) is 2-[3-(4-fluorophenyl)sulfonylpropyl]pyrrolidine.
What is the SMILES notation for 2-[3-(4-fluorophenyl)sulfonylpropyl]pyrrolidine?
The canonical SMILES for 2-[3-(4-fluorophenyl)sulfonylpropyl]pyrrolidine is O=S(=O)(CCCC1CCCN1)c1ccc(F)cc1.
What is the InChIKey of 2-[3-(4-fluorophenyl)sulfonylpropyl]pyrrolidine?
The InChIKey is MIYSVIIEWMZDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2S/c14-11-5-7-13(8-6-11)18(16,17)10-2-4-12-3-1-9-15-12/h5-8,12,15H,1-4,9-10H2.
What are the key properties of 2-[3-(4-fluorophenyl)sulfonylpropyl]pyrrolidine?
2-[3-(4-fluorophenyl)sulfonylpropyl]pyrrolidine has a molecular weight of 271.36 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluorophenyl)sulfonylpropyl]pyrrolidine is sourced from PubChem (CID 112741662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).