2-[1-(3,5-difluorophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrrole

C14H14F2N2O2S — CID 42958826

IUPAC2-[1-(3,5-difluorophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrrole
SMILESO=S(=O)(c1cc(F)cc(F)c1)N1CCCC1c1ccc[nH]1
InChIInChI=1S/C14H14F2N2O2S/c15-10-7-11(16)9-12(8-10)21(19,20)18-6-2-4-14(18)13-3-1-5-17-13/h1,3,5,7-9,14,17H,2,4,6H2
InChIKeyKOSLEIDDCLJPLT-UHFFFAOYSA-N
MW312.34 g/mol
LogP2.82
Rot. Bonds3

About 2-[1-(3,5-difluorophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrrole

2-[1-(3,5-difluorophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrrole (PubChem CID 42958826) has the molecular formula C14H14F2N2O2S and a molecular weight of 312.34 g/mol. Its IUPAC name is 2-[1-(3,5-difluorophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrrole.

Molecular Properties

Compound Name2-[1-(3,5-difluorophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrrole
PubChem CID42958826
Molecular FormulaC14H14F2N2O2S
Molecular Weight312.34 g/mol
Exact Mass312.07
IUPAC Name2-[1-(3,5-difluorophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrrole
SMILESO=S(=O)(c1cc(F)cc(F)c1)N1CCCC1c1ccc[nH]1
InChIInChI=1S/C14H14F2N2O2S/c15-10-7-11(16)9-12(8-10)21(19,20)18-6-2-4-14(18)13-3-1-5-17-13/h1,3,5,7-9,14,17H,2,4,6H2
InChIKeyKOSLEIDDCLJPLT-UHFFFAOYSA-N
XLogP2.82
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,5-difluorophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrrole?
The IUPAC name of 2-[1-(3,5-difluorophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrrole (CID 42958826) is 2-[1-(3,5-difluorophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrrole.
What is the SMILES notation for 2-[1-(3,5-difluorophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrrole?
The canonical SMILES for 2-[1-(3,5-difluorophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrrole is O=S(=O)(c1cc(F)cc(F)c1)N1CCCC1c1ccc[nH]1.
What is the InChIKey of 2-[1-(3,5-difluorophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrrole?
The InChIKey is KOSLEIDDCLJPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O2S/c15-10-7-11(16)9-12(8-10)21(19,20)18-6-2-4-14(18)13-3-1-5-17-13/h1,3,5,7-9,14,17H,2,4,6H2.
What are the key properties of 2-[1-(3,5-difluorophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrrole?
2-[1-(3,5-difluorophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrrole has a molecular weight of 312.34 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,5-difluorophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrrole is sourced from PubChem (CID 42958826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).