3-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]pyridine

C15H15FN2O2S — CID 2738275

IUPAC3-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]pyridine
SMILESO=S(=O)(c1ccc(F)cc1)N1CCCC1c1cccnc1
InChIInChI=1S/C15H15FN2O2S/c16-13-5-7-14(8-6-13)21(19,20)18-10-2-4-15(18)12-3-1-9-17-11-12/h1,3,5-9,11,15H,2,4,10H2
InChIKeyFXBHMBPJGTXZIR-UHFFFAOYSA-N
MW306.36 g/mol
LogP2.75
Rot. Bonds3

About 3-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]pyridine

3-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]pyridine (PubChem CID 2738275) has the molecular formula C15H15FN2O2S and a molecular weight of 306.36 g/mol. Its IUPAC name is 3-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]pyridine.

Molecular Properties

Compound Name3-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]pyridine
PubChem CID2738275
Molecular FormulaC15H15FN2O2S
Molecular Weight306.36 g/mol
Exact Mass306.08
IUPAC Name3-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]pyridine
SMILESO=S(=O)(c1ccc(F)cc1)N1CCCC1c1cccnc1
InChIInChI=1S/C15H15FN2O2S/c16-13-5-7-14(8-6-13)21(19,20)18-10-2-4-15(18)12-3-1-9-17-11-12/h1,3,5-9,11,15H,2,4,10H2
InChIKeyFXBHMBPJGTXZIR-UHFFFAOYSA-N
XLogP2.75
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]pyridine?
The IUPAC name of 3-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]pyridine (CID 2738275) is 3-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]pyridine.
What is the SMILES notation for 3-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]pyridine?
The canonical SMILES for 3-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]pyridine is O=S(=O)(c1ccc(F)cc1)N1CCCC1c1cccnc1.
What is the InChIKey of 3-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]pyridine?
The InChIKey is FXBHMBPJGTXZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2S/c16-13-5-7-14(8-6-13)21(19,20)18-10-2-4-15(18)12-3-1-9-17-11-12/h1,3,5-9,11,15H,2,4,10H2.
What are the key properties of 3-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]pyridine?
3-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]pyridine has a molecular weight of 306.36 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]pyridine is sourced from PubChem (CID 2738275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).