1-(2-fluoro-5-methylsulfonylphenyl)sulfonylpyrrolidin-3-ol

C11H14FNO5S2 — CID 62916097

IUPAC1-(2-fluoro-5-methylsulfonylphenyl)sulfonylpyrrolidin-3-ol
SMILESCS(=O)(=O)c1ccc(F)c(S(=O)(=O)N2CCC(O)C2)c1
InChIInChI=1S/C11H14FNO5S2/c1-19(15,16)9-2-3-10(12)11(6-9)20(17,18)13-5-4-8(14)7-13/h2-3,6,8,14H,4-5,7H2,1H3
InChIKeyMXGFQXOHXHQXPX-UHFFFAOYSA-N
MW323.37 g/mol
LogP-0.02
Rot. Bonds3

About 1-(2-fluoro-5-methylsulfonylphenyl)sulfonylpyrrolidin-3-ol

1-(2-fluoro-5-methylsulfonylphenyl)sulfonylpyrrolidin-3-ol (PubChem CID 62916097) has the molecular formula C11H14FNO5S2 and a molecular weight of 323.37 g/mol. Its IUPAC name is 1-(2-fluoro-5-methylsulfonylphenyl)sulfonylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-(2-fluoro-5-methylsulfonylphenyl)sulfonylpyrrolidin-3-ol
PubChem CID62916097
Molecular FormulaC11H14FNO5S2
Molecular Weight323.37 g/mol
Exact Mass323.03
IUPAC Name1-(2-fluoro-5-methylsulfonylphenyl)sulfonylpyrrolidin-3-ol
SMILESCS(=O)(=O)c1ccc(F)c(S(=O)(=O)N2CCC(O)C2)c1
InChIInChI=1S/C11H14FNO5S2/c1-19(15,16)9-2-3-10(12)11(6-9)20(17,18)13-5-4-8(14)7-13/h2-3,6,8,14H,4-5,7H2,1H3
InChIKeyMXGFQXOHXHQXPX-UHFFFAOYSA-N
XLogP-0.02
TPSA91.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-5-methylsulfonylphenyl)sulfonylpyrrolidin-3-ol?
The IUPAC name of 1-(2-fluoro-5-methylsulfonylphenyl)sulfonylpyrrolidin-3-ol (CID 62916097) is 1-(2-fluoro-5-methylsulfonylphenyl)sulfonylpyrrolidin-3-ol.
What is the SMILES notation for 1-(2-fluoro-5-methylsulfonylphenyl)sulfonylpyrrolidin-3-ol?
The canonical SMILES for 1-(2-fluoro-5-methylsulfonylphenyl)sulfonylpyrrolidin-3-ol is CS(=O)(=O)c1ccc(F)c(S(=O)(=O)N2CCC(O)C2)c1.
What is the InChIKey of 1-(2-fluoro-5-methylsulfonylphenyl)sulfonylpyrrolidin-3-ol?
The InChIKey is MXGFQXOHXHQXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO5S2/c1-19(15,16)9-2-3-10(12)11(6-9)20(17,18)13-5-4-8(14)7-13/h2-3,6,8,14H,4-5,7H2,1H3.
What are the key properties of 1-(2-fluoro-5-methylsulfonylphenyl)sulfonylpyrrolidin-3-ol?
1-(2-fluoro-5-methylsulfonylphenyl)sulfonylpyrrolidin-3-ol has a molecular weight of 323.37 g/mol, XLogP of -0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-5-methylsulfonylphenyl)sulfonylpyrrolidin-3-ol is sourced from PubChem (CID 62916097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).