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

C11H14FNO3S — CID 79028203

IUPAC[(2S)-1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]methanol
SMILESO=S(=O)(c1cccc(F)c1)N1CCC[C@H]1CO
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/t10-/m0/s1
InChIKeyZYYOOKOKRFKYBY-JTQLQIEISA-N
MW259.30 g/mol
LogP0.97
Rot. Bonds3

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

[(2S)-1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]methanol (PubChem CID 79028203) has the molecular formula C11H14FNO3S and a molecular weight of 259.30 g/mol. Its IUPAC name is [(2S)-1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]methanol
PubChem CID79028203
Molecular FormulaC11H14FNO3S
Molecular Weight259.30 g/mol
Exact Mass259.07
IUPAC Name[(2S)-1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]methanol
SMILESO=S(=O)(c1cccc(F)c1)N1CCC[C@H]1CO
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/t10-/m0/s1
InChIKeyZYYOOKOKRFKYBY-JTQLQIEISA-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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Related Compounds

1-(4-Fluorobenzenesulfonyl)pyrrolidine-2-carboxylic acid
CID 615038
ST016344
CID 297354
((2S)-1-(benzenesulfonyl)pyrrolidin-2-yl)methanol
CID 15696145
N-ethyl-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]benzenesulfonamide
CID 44601996
1-tosyl-2-(S)-pyrrolidinemethanol
CID 724414
(2S)-1-(2-Fluorobenzenesulfonyl)pyrrolidine-2-carboxylic acid
CID 2384346
(2S)-1-(4-fluorobenzenesulfonyl)pyrrolidine-2-carboxylic acid
CID 686685
[(R)-1-[1-(o-fluorophenylsulfonyl)-4-piperidyl]-2-pyrrolidinyl]methanol
CID 97415218
Ethanol, 2-(cyclohexyl)(4-fluorophenylsulfonyl)amino-
CID 604862
[(2S,4R)-4-(difluoromethyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methanol
CID 11990910
1-(2-Fluorobenzenesulfonyl)pyrrolidine-2-carboxylic acid
CID 3751853
1-(2-Fluorophenyl)sulfonylpyrrolidin-3-ol
CID 6733533

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]methanol (CID 79028203) is [(2S)-1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]methanol is O=S(=O)(c1cccc(F)c1)N1CCC[C@H]1CO.
What is the InChIKey of [(2S)-1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]methanol?
The InChIKey is ZYYOOKOKRFKYBY-JTQLQIEISA-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/t10-/m0/s1.
What are the key properties of [(2S)-1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]methanol?
[(2S)-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 [(2S)-1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 79028203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).