[1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]methanol

C11H14FNO3S — CID 4990892

IUPAC[1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]methanol
SMILESO=S(=O)(c1cccc(F)c1)N1CCCC1CO
InChIInChI=1S/C11H14FNO3S/c12-9-3-1-5-11(7-9)17(15,16)13-6-2-4-10(13)8-14/h1,3,5,7,10,14H,2,4,6,8H2
InChIKeyZYYOOKOKRFKYBY-UHFFFAOYSA-N
MW259.30 g/mol
LogP0.97
Rot. Bonds3

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

[1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]methanol (PubChem CID 4990892) has the molecular formula C11H14FNO3S and a molecular weight of 259.30 g/mol. Its IUPAC name is [1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]methanol
PubChem CID4990892
Molecular FormulaC11H14FNO3S
Molecular Weight259.30 g/mol
Exact Mass259.07
IUPAC Name[1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]methanol
SMILESO=S(=O)(c1cccc(F)c1)N1CCCC1CO
InChIInChI=1S/C11H14FNO3S/c12-9-3-1-5-11(7-9)17(15,16)13-6-2-4-10(13)8-14/h1,3,5,7,10,14H,2,4,6,8H2
InChIKeyZYYOOKOKRFKYBY-UHFFFAOYSA-N
XLogP0.97
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]methanol?
The IUPAC name of [1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]methanol (CID 4990892) is [1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]methanol?
The canonical SMILES for [1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]methanol is O=S(=O)(c1cccc(F)c1)N1CCCC1CO.
What is the InChIKey of [1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]methanol?
The InChIKey is ZYYOOKOKRFKYBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO3S/c12-9-3-1-5-11(7-9)17(15,16)13-6-2-4-10(13)8-14/h1,3,5,7,10,14H,2,4,6,8H2.
What are the key properties of [1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]methanol?
[1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]methanol has a molecular weight of 259.30 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 4990892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).