2-[1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrrole

C14H15FN2O2S — CID 47298751

IUPAC2-[1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrrole
SMILESO=S(=O)(c1ccccc1F)N1CCCC1c1ccc[nH]1
InChIInChI=1S/C14H15FN2O2S/c15-11-5-1-2-8-14(11)20(18,19)17-10-4-7-13(17)12-6-3-9-16-12/h1-3,5-6,8-9,13,16H,4,7,10H2
InChIKeyDLQMZZYSUTVIMX-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.68
Rot. Bonds3

About 2-[1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrrole

2-[1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrrole (PubChem CID 47298751) has the molecular formula C14H15FN2O2S and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-[1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrrole.

Molecular Properties

Compound Name2-[1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrrole
PubChem CID47298751
Molecular FormulaC14H15FN2O2S
Molecular Weight294.35 g/mol
Exact Mass294.08
IUPAC Name2-[1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrrole
SMILESO=S(=O)(c1ccccc1F)N1CCCC1c1ccc[nH]1
InChIInChI=1S/C14H15FN2O2S/c15-11-5-1-2-8-14(11)20(18,19)17-10-4-7-13(17)12-6-3-9-16-12/h1-3,5-6,8-9,13,16H,4,7,10H2
InChIKeyDLQMZZYSUTVIMX-UHFFFAOYSA-N
XLogP2.68
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrrole?
The IUPAC name of 2-[1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrrole (CID 47298751) is 2-[1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrrole.
What is the SMILES notation for 2-[1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrrole?
The canonical SMILES for 2-[1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrrole is O=S(=O)(c1ccccc1F)N1CCCC1c1ccc[nH]1.
What is the InChIKey of 2-[1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrrole?
The InChIKey is DLQMZZYSUTVIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2S/c15-11-5-1-2-8-14(11)20(18,19)17-10-4-7-13(17)12-6-3-9-16-12/h1-3,5-6,8-9,13,16H,4,7,10H2.
What are the key properties of 2-[1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrrole?
2-[1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrrole has a molecular weight of 294.35 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrrole is sourced from PubChem (CID 47298751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).