3-fluoro-1-(4-methylphenyl)sulfonylpyrrolidine

C11H14FNO2S — CID 86238190

IUPAC3-fluoro-1-(4-methylphenyl)sulfonylpyrrolidine
SMILESCc1ccc(S(=O)(=O)N2CCC(F)C2)cc1
InChIInChI=1S/C11H14FNO2S/c1-9-2-4-11(5-3-9)16(14,15)13-7-6-10(12)8-13/h2-5,10H,6-8H2,1H3
InChIKeySMILQNMLDUJLGR-UHFFFAOYSA-N
MW243.30 g/mol
LogP1.73
Rot. Bonds2

About 3-fluoro-1-(4-methylphenyl)sulfonylpyrrolidine

3-fluoro-1-(4-methylphenyl)sulfonylpyrrolidine (PubChem CID 86238190) has the molecular formula C11H14FNO2S and a molecular weight of 243.30 g/mol. Its IUPAC name is 3-fluoro-1-(4-methylphenyl)sulfonylpyrrolidine.

Molecular Properties

Compound Name3-fluoro-1-(4-methylphenyl)sulfonylpyrrolidine
PubChem CID86238190
Molecular FormulaC11H14FNO2S
Molecular Weight243.30 g/mol
Exact Mass243.07
IUPAC Name3-fluoro-1-(4-methylphenyl)sulfonylpyrrolidine
SMILESCc1ccc(S(=O)(=O)N2CCC(F)C2)cc1
InChIInChI=1S/C11H14FNO2S/c1-9-2-4-11(5-3-9)16(14,15)13-7-6-10(12)8-13/h2-5,10H,6-8H2,1H3
InChIKeySMILQNMLDUJLGR-UHFFFAOYSA-N
XLogP1.73
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-(4-methylphenyl)sulfonylpyrrolidine?
The IUPAC name of 3-fluoro-1-(4-methylphenyl)sulfonylpyrrolidine (CID 86238190) is 3-fluoro-1-(4-methylphenyl)sulfonylpyrrolidine.
What is the SMILES notation for 3-fluoro-1-(4-methylphenyl)sulfonylpyrrolidine?
The canonical SMILES for 3-fluoro-1-(4-methylphenyl)sulfonylpyrrolidine is Cc1ccc(S(=O)(=O)N2CCC(F)C2)cc1.
What is the InChIKey of 3-fluoro-1-(4-methylphenyl)sulfonylpyrrolidine?
The InChIKey is SMILQNMLDUJLGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2S/c1-9-2-4-11(5-3-9)16(14,15)13-7-6-10(12)8-13/h2-5,10H,6-8H2,1H3.
What are the key properties of 3-fluoro-1-(4-methylphenyl)sulfonylpyrrolidine?
3-fluoro-1-(4-methylphenyl)sulfonylpyrrolidine has a molecular weight of 243.30 g/mol, XLogP of 1.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-(4-methylphenyl)sulfonylpyrrolidine is sourced from PubChem (CID 86238190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).