(1S)-2-[(2R)-1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]-1-(furan-2-yl)ethanol

C16H18FNO4S — CID 97239642

IUPAC(1S)-2-[(2R)-1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]-1-(furan-2-yl)ethanol
SMILESO=S(=O)(c1ccccc1F)N1CCC[C@@H]1C[C@H](O)c1ccco1
InChIInChI=1S/C16H18FNO4S/c17-13-6-1-2-8-16(13)23(20,21)18-9-3-5-12(18)11-14(19)15-7-4-10-22-15/h1-2,4,6-8,10,12,14,19H,3,5,9,11H2/t12-,14+/m1/s1
InChIKeyWEJSZMFDVGWSRY-OCCSQVGLSA-N
MW339.39 g/mol
LogP2.70
Rot. Bonds5

About (1S)-2-[(2R)-1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]-1-(furan-2-yl)ethanol

(1S)-2-[(2R)-1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]-1-(furan-2-yl)ethanol (PubChem CID 97239642) has the molecular formula C16H18FNO4S and a molecular weight of 339.39 g/mol. Its IUPAC name is (1S)-2-[(2R)-1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]-1-(furan-2-yl)ethanol.

Molecular Properties

Compound Name(1S)-2-[(2R)-1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]-1-(furan-2-yl)ethanol
PubChem CID97239642
Molecular FormulaC16H18FNO4S
Molecular Weight339.39 g/mol
Exact Mass339.09
IUPAC Name(1S)-2-[(2R)-1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]-1-(furan-2-yl)ethanol
SMILESO=S(=O)(c1ccccc1F)N1CCC[C@@H]1C[C@H](O)c1ccco1
InChIInChI=1S/C16H18FNO4S/c17-13-6-1-2-8-16(13)23(20,21)18-9-3-5-12(18)11-14(19)15-7-4-10-22-15/h1-2,4,6-8,10,12,14,19H,3,5,9,11H2/t12-,14+/m1/s1
InChIKeyWEJSZMFDVGWSRY-OCCSQVGLSA-N
XLogP2.70
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-(furan-2-yl)-2-[(2S)-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]ethanol
CID 97075660
1-[1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]propan-2-one
CID 79545883
2-(3-bromopropyl)-1-(2-fluorophenyl)sulfonylpyrrolidine
CID 80674099
1-(2-fluorophenyl)sulfonyl-2-propylpiperidine
CID 83052559
2-(bromomethyl)-1-(2-fluorophenyl)sulfonylazepane
CID 116639734
(1S)-2-[(2R)-1-(furan-2-ylsulfonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanol
CID 124728531
3-[2-[2-(furan-2-yl)-2-hydroxyethyl]pyrrolidin-1-yl]-2-hydroxy-2-phenylpropanamide
CID 122154559
1-(2-fluorophenyl)sulfonyl-2,3-dimethylpiperidine
CID 62122855
2-cyclohexyl-1-(2-fluorophenyl)sulfonylpyrrolidine
CID 61045786
N-(5-bromo-2-fluorophenyl)-2-[(2S)-2-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidin-1-yl]-2-oxoacetamide
CID 97257612
2-(4-fluorophenoxy)-1-[(2R)-2-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidin-1-yl]ethanone
CID 97224650
(2S)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]-N-methoxypyrrolidine-1-carboxamide
CID 99718766

Frequently Asked Questions

What is the IUPAC name of (1S)-2-[(2R)-1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]-1-(furan-2-yl)ethanol?
The IUPAC name of (1S)-2-[(2R)-1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]-1-(furan-2-yl)ethanol (CID 97239642) is (1S)-2-[(2R)-1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]-1-(furan-2-yl)ethanol.
What is the SMILES notation for (1S)-2-[(2R)-1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]-1-(furan-2-yl)ethanol?
The canonical SMILES for (1S)-2-[(2R)-1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]-1-(furan-2-yl)ethanol is O=S(=O)(c1ccccc1F)N1CCC[C@@H]1C[C@H](O)c1ccco1.
What is the InChIKey of (1S)-2-[(2R)-1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]-1-(furan-2-yl)ethanol?
The InChIKey is WEJSZMFDVGWSRY-OCCSQVGLSA-N. The full InChI is InChI=1S/C16H18FNO4S/c17-13-6-1-2-8-16(13)23(20,21)18-9-3-5-12(18)11-14(19)15-7-4-10-22-15/h1-2,4,6-8,10,12,14,19H,3,5,9,11H2/t12-,14+/m1/s1.
What are the key properties of (1S)-2-[(2R)-1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]-1-(furan-2-yl)ethanol?
(1S)-2-[(2R)-1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]-1-(furan-2-yl)ethanol has a molecular weight of 339.39 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-[(2R)-1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]-1-(furan-2-yl)ethanol is sourced from PubChem (CID 97239642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).