2-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrrole

C14H15FN2O2S — CID 47176211

IUPAC2-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrrole
SMILESO=S(=O)(c1ccc(F)cc1)N1CCCC1c1ccc[nH]1
InChIInChI=1S/C14H15FN2O2S/c15-11-5-7-12(8-6-11)20(18,19)17-10-2-4-14(17)13-3-1-9-16-13/h1,3,5-9,14,16H,2,4,10H2
InChIKeyLRPQDAUSQLSDNG-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.68
Rot. Bonds3

About 2-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrrole

2-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrrole (PubChem CID 47176211) has the molecular formula C14H15FN2O2S and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrrole.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrrole
PubChem CID47176211
Molecular FormulaC14H15FN2O2S
Molecular Weight294.35 g/mol
Exact Mass294.08
IUPAC Name2-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrrole
SMILESO=S(=O)(c1ccc(F)cc1)N1CCCC1c1ccc[nH]1
InChIInChI=1S/C14H15FN2O2S/c15-11-5-7-12(8-6-11)20(18,19)17-10-2-4-14(17)13-3-1-9-16-13/h1,3,5-9,14,16H,2,4,10H2
InChIKeyLRPQDAUSQLSDNG-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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Related Compounds

2-[1-(4-fluoro-3-methylphenyl)sulfonylpyrrolidin-2-yl]-1H-pyrrole
CID 110873150
2-fluoro-4-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonylaniline
CID 82845487
2-[1-(2-bromo-4-fluorophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrrole
CID 61073789
5-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one
CID 110873181
5-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonyl-1,3-dihydroindol-2-one
CID 110873172
2-(1-propan-2-ylsulfonylpyrrolidin-2-yl)-1H-pyrrole
CID 61357186
(2S)-1-(4-fluorophenyl)sulfonyl-2-(2-methylphenyl)pyrrolidine
CID 51855972
2-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]-1H-pyrrole
CID 110873160
(2S)-1-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)pyrrolidine
CID 25498073
2-[1-(2,4-dibromophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrrole
CID 61073788
(2R)-1-(4-tert-butylphenyl)sulfonyl-2-(4-fluorophenyl)pyrrolidine
CID 51856123
5-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonylfuran-2-carboxylic acid
CID 60951906

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrrole?
The IUPAC name of 2-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrrole (CID 47176211) is 2-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrrole.
What is the SMILES notation for 2-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrrole?
The canonical SMILES for 2-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrrole is O=S(=O)(c1ccc(F)cc1)N1CCCC1c1ccc[nH]1.
What is the InChIKey of 2-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrrole?
The InChIKey is LRPQDAUSQLSDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2S/c15-11-5-7-12(8-6-11)20(18,19)17-10-2-4-14(17)13-3-1-9-16-13/h1,3,5-9,14,16H,2,4,10H2.
What are the key properties of 2-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrrole?
2-[1-(4-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-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrrole is sourced from PubChem (CID 47176211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).