1-(2-fluoro-5-methylsulfonylphenyl)sulfonylpyrrolidine

C11H14FNO4S2 — CID 43454688

IUPAC1-(2-fluoro-5-methylsulfonylphenyl)sulfonylpyrrolidine
SMILESCS(=O)(=O)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C11H14FNO4S2/c1-18(14,15)9-4-5-10(12)11(8-9)19(16,17)13-6-2-3-7-13/h4-5,8H,2-3,6-7H2,1H3
InChIKeyXUGOEZBLROJQBG-UHFFFAOYSA-N
MW307.37 g/mol
LogP1.01
Rot. Bonds3

About 1-(2-fluoro-5-methylsulfonylphenyl)sulfonylpyrrolidine

1-(2-fluoro-5-methylsulfonylphenyl)sulfonylpyrrolidine (PubChem CID 43454688) has the molecular formula C11H14FNO4S2 and a molecular weight of 307.37 g/mol. Its IUPAC name is 1-(2-fluoro-5-methylsulfonylphenyl)sulfonylpyrrolidine.

Molecular Properties

Compound Name1-(2-fluoro-5-methylsulfonylphenyl)sulfonylpyrrolidine
PubChem CID43454688
Molecular FormulaC11H14FNO4S2
Molecular Weight307.37 g/mol
Exact Mass307.03
IUPAC Name1-(2-fluoro-5-methylsulfonylphenyl)sulfonylpyrrolidine
SMILESCS(=O)(=O)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C11H14FNO4S2/c1-18(14,15)9-4-5-10(12)11(8-9)19(16,17)13-6-2-3-7-13/h4-5,8H,2-3,6-7H2,1H3
InChIKeyXUGOEZBLROJQBG-UHFFFAOYSA-N
XLogP1.01
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-5-methylsulfonylphenyl)sulfonylpyrrolidine?
The IUPAC name of 1-(2-fluoro-5-methylsulfonylphenyl)sulfonylpyrrolidine (CID 43454688) is 1-(2-fluoro-5-methylsulfonylphenyl)sulfonylpyrrolidine.
What is the SMILES notation for 1-(2-fluoro-5-methylsulfonylphenyl)sulfonylpyrrolidine?
The canonical SMILES for 1-(2-fluoro-5-methylsulfonylphenyl)sulfonylpyrrolidine is CS(=O)(=O)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1.
What is the InChIKey of 1-(2-fluoro-5-methylsulfonylphenyl)sulfonylpyrrolidine?
The InChIKey is XUGOEZBLROJQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO4S2/c1-18(14,15)9-4-5-10(12)11(8-9)19(16,17)13-6-2-3-7-13/h4-5,8H,2-3,6-7H2,1H3.
What are the key properties of 1-(2-fluoro-5-methylsulfonylphenyl)sulfonylpyrrolidine?
1-(2-fluoro-5-methylsulfonylphenyl)sulfonylpyrrolidine has a molecular weight of 307.37 g/mol, XLogP of 1.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-5-methylsulfonylphenyl)sulfonylpyrrolidine is sourced from PubChem (CID 43454688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).