5-(4-fluorophenyl)sulfonyl-1-methylpyrrolidine-2,3-diol

C11H14FNO4S — CID 141399560

IUPAC5-(4-fluorophenyl)sulfonyl-1-methylpyrrolidine-2,3-diol
SMILESCN1C(O)C(O)CC1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C11H14FNO4S/c1-13-10(6-9(14)11(13)15)18(16,17)8-4-2-7(12)3-5-8/h2-5,9-11,14-15H,6H2,1H3
InChIKeyFWPRGFIOFYPGMF-UHFFFAOYSA-N
MW275.30 g/mol
LogP-0.06
Rot. Bonds2

About 5-(4-fluorophenyl)sulfonyl-1-methylpyrrolidine-2,3-diol

5-(4-fluorophenyl)sulfonyl-1-methylpyrrolidine-2,3-diol (PubChem CID 141399560) has the molecular formula C11H14FNO4S and a molecular weight of 275.30 g/mol. Its IUPAC name is 5-(4-fluorophenyl)sulfonyl-1-methylpyrrolidine-2,3-diol.

Molecular Properties

Compound Name5-(4-fluorophenyl)sulfonyl-1-methylpyrrolidine-2,3-diol
PubChem CID141399560
Molecular FormulaC11H14FNO4S
Molecular Weight275.30 g/mol
Exact Mass275.06
IUPAC Name5-(4-fluorophenyl)sulfonyl-1-methylpyrrolidine-2,3-diol
SMILESCN1C(O)C(O)CC1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C11H14FNO4S/c1-13-10(6-9(14)11(13)15)18(16,17)8-4-2-7(12)3-5-8/h2-5,9-11,14-15H,6H2,1H3
InChIKeyFWPRGFIOFYPGMF-UHFFFAOYSA-N
XLogP-0.06
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(benzenesulfonyl)-1-[(3S,4S)-3-fluoro-4-hydroxypyrrolidin-1-yl]propan-1-one
CID 164639278
1-[(4-Fluorophenyl)sulfanylmethyl]pyrrolidin-3-ol
CID 68571124
(3R)-1-[(4-fluorophenyl)sulfanylmethyl]pyrrolidin-3-ol
CID 68603034
1-(2-Fluoro-5-methylsulfonylphenyl)sulfonylpyrrolidin-3-ol
CID 62916097
1-[2-(4-Fluorophenyl)sulfanylethyl]pyrrolidin-3-ol
CID 62916124
1-[2-(2-Fluorophenyl)sulfanylethyl]pyrrolidin-3-ol
CID 62918188
(3S)-1-[2-(2-fluorophenyl)sulfanylethyl]pyrrolidin-3-ol
CID 64114503
(3S)-1-[2-(4-fluorophenyl)sulfanylethyl]pyrrolidin-3-ol
CID 64116608
(3R)-1-(2-fluoro-5-methylsulfonylphenyl)sulfonylpyrrolidin-3-ol
CID 66291175
(3R)-1-[2-(4-fluorophenyl)sulfanylethyl]pyrrolidin-3-ol
CID 78963218
(3R)-1-[2-(2-fluorophenyl)sulfanylethyl]pyrrolidin-3-ol
CID 78963742
(3S)-1-(2-fluoro-5-methylsulfonylphenyl)sulfonylpyrrolidin-3-ol
CID 79031549

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)sulfonyl-1-methylpyrrolidine-2,3-diol?
The IUPAC name of 5-(4-fluorophenyl)sulfonyl-1-methylpyrrolidine-2,3-diol (CID 141399560) is 5-(4-fluorophenyl)sulfonyl-1-methylpyrrolidine-2,3-diol.
What is the SMILES notation for 5-(4-fluorophenyl)sulfonyl-1-methylpyrrolidine-2,3-diol?
The canonical SMILES for 5-(4-fluorophenyl)sulfonyl-1-methylpyrrolidine-2,3-diol is CN1C(O)C(O)CC1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 5-(4-fluorophenyl)sulfonyl-1-methylpyrrolidine-2,3-diol?
The InChIKey is FWPRGFIOFYPGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO4S/c1-13-10(6-9(14)11(13)15)18(16,17)8-4-2-7(12)3-5-8/h2-5,9-11,14-15H,6H2,1H3.
What are the key properties of 5-(4-fluorophenyl)sulfonyl-1-methylpyrrolidine-2,3-diol?
5-(4-fluorophenyl)sulfonyl-1-methylpyrrolidine-2,3-diol has a molecular weight of 275.30 g/mol, XLogP of -0.06, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)sulfonyl-1-methylpyrrolidine-2,3-diol is sourced from PubChem (CID 141399560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).