2-[(3-fluorophenyl)sulfonylmethyl]pyrrolidine

C11H14FNO2S — CID 84703896

IUPAC2-[(3-fluorophenyl)sulfonylmethyl]pyrrolidine
SMILESO=S(=O)(CC1CCCN1)c1cccc(F)c1
InChIInChI=1S/C11H14FNO2S/c12-9-3-1-5-11(7-9)16(14,15)8-10-4-2-6-13-10/h1,3,5,7,10,13H,2,4,6,8H2
InChIKeyQFUFSDYTNCMMKN-UHFFFAOYSA-N
MW243.30 g/mol
LogP1.35
Rot. Bonds3

About 2-[(3-fluorophenyl)sulfonylmethyl]pyrrolidine

2-[(3-fluorophenyl)sulfonylmethyl]pyrrolidine (PubChem CID 84703896) has the molecular formula C11H14FNO2S and a molecular weight of 243.30 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)sulfonylmethyl]pyrrolidine.

Molecular Properties

Compound Name2-[(3-fluorophenyl)sulfonylmethyl]pyrrolidine
PubChem CID84703896
Molecular FormulaC11H14FNO2S
Molecular Weight243.30 g/mol
Exact Mass243.07
IUPAC Name2-[(3-fluorophenyl)sulfonylmethyl]pyrrolidine
SMILESO=S(=O)(CC1CCCN1)c1cccc(F)c1
InChIInChI=1S/C11H14FNO2S/c12-9-3-1-5-11(7-9)16(14,15)8-10-4-2-6-13-10/h1,3,5,7,10,13H,2,4,6,8H2
InChIKeyQFUFSDYTNCMMKN-UHFFFAOYSA-N
XLogP1.35
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-2-(2-fluorophenyl)sulfanylacetamide
CID 16196693
2-(2-(Phenylsulfonyl)ethyl)piperidine hydrochloride
CID 24747372
1-(2-(Phenylsulfonyl)ethyl)pyrrolidine
CID 2778353
N-(2-phenylsulfonylethyl)-2-propanamine
CID 13655034
N-[2-(benzenesulfonyl)ethyl]propan-1-amine
CID 57300593
3-(Phenylsulfonyl)pyrrolidine hydrochloride
CID 44118718
N-(1,1-dioxothiolan-3-yl)phenylthiocarboxamide
CID 3091627
4-(4-Fluorobenzenesulfonyl)piperidine
CID 11032089
4-(Phenylsulfonyl)piperidine hydrochloride
CID 17749803
2-(4-Fluorobenzenesulfonyl)ethan-1-amine hydrochloride
CID 22693712
n-(1,1-Dioxidotetrahydrothiophen-3-yl)-4-fluorobenzenesulfonamide
CID 2810892
1-(Methylsulfonyl)-2-((phenylsulfonyl)methyl)pyrrolidine
CID 71805892

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)sulfonylmethyl]pyrrolidine?
The IUPAC name of 2-[(3-fluorophenyl)sulfonylmethyl]pyrrolidine (CID 84703896) is 2-[(3-fluorophenyl)sulfonylmethyl]pyrrolidine.
What is the SMILES notation for 2-[(3-fluorophenyl)sulfonylmethyl]pyrrolidine?
The canonical SMILES for 2-[(3-fluorophenyl)sulfonylmethyl]pyrrolidine is O=S(=O)(CC1CCCN1)c1cccc(F)c1.
What is the InChIKey of 2-[(3-fluorophenyl)sulfonylmethyl]pyrrolidine?
The InChIKey is QFUFSDYTNCMMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2S/c12-9-3-1-5-11(7-9)16(14,15)8-10-4-2-6-13-10/h1,3,5,7,10,13H,2,4,6,8H2.
What are the key properties of 2-[(3-fluorophenyl)sulfonylmethyl]pyrrolidine?
2-[(3-fluorophenyl)sulfonylmethyl]pyrrolidine has a molecular weight of 243.30 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)sulfonylmethyl]pyrrolidine is sourced from PubChem (CID 84703896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).