(2S,4S)-1-(4-fluorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid

C11H12FNO5S — CID 7041086

IUPAC(2S,4S)-1-(4-fluorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C11H12FNO5S/c12-7-1-3-9(4-2-7)19(17,18)13-6-8(14)5-10(13)11(15)16/h1-4,8,10,14H,5-6H2,(H,15,16)/t8-,10-/m0/s1
InChIKeyYDYGDLFTYNVSOS-WPRPVWTQSA-N
MW289.28 g/mol
LogP0.03
Rot. Bonds3

About (2S,4S)-1-(4-fluorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid

(2S,4S)-1-(4-fluorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 7041086) has the molecular formula C11H12FNO5S and a molecular weight of 289.28 g/mol. Its IUPAC name is (2S,4S)-1-(4-fluorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4S)-1-(4-fluorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID7041086
Molecular FormulaC11H12FNO5S
Molecular Weight289.28 g/mol
Exact Mass289.04
IUPAC Name(2S,4S)-1-(4-fluorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C11H12FNO5S/c12-7-1-3-9(4-2-7)19(17,18)13-6-8(14)5-10(13)11(15)16/h1-4,8,10,14H,5-6H2,(H,15,16)/t8-,10-/m0/s1
InChIKeyYDYGDLFTYNVSOS-WPRPVWTQSA-N
XLogP0.03
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.28
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-Fluorobenzenesulfonyl)pyrrolidine-2-carboxylic acid
CID 615038
(2S)-1-(Benzenesulfonyl)pyrrolidine-2-carboxylic acid
CID 720844
1-(Phenylsulfonyl)proline
CID 2837293
Methyl (2S,4R)-4-hydroxy-1-tosylpyrrolidine-2-carboxylate
CID 6930803
trans-1-Benzenesulfonyl-4-hydroxy-pyrrolidine-2-carboxylic acid methyl ester
CID 18445902
4-Hydroxy-1-[(4-methylphenyl)sulfonyl]-2-pyrrolidinecarboxylic acid
CID 296099
1-(4-Diethylsulfamoyl-benzenesulfonyl)-pyrrolidine-2-carboxylic acid
CID 3215957
1-Benzenesulfonyl-4-benzenesulfonyloxy-pyrrolidine-2-carboxylic acid methyl ester
CID 44569039
4-Benzenesulfonyloxy-1-methanesulfonyl-pyrrolidine-2-carboxylic acid methyl ester
CID 44569062
methyl (2R,4S)-1-(4-bromo-2-fluorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylate
CID 44602059
Methyl 1-(phenylsulfonyl)prolinate
CID 610805
(3,3-dimethyl-2-oxobutyl) (2S)-1-(4-fluorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylate
CID 16242101

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-1-(4-fluorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4S)-1-(4-fluorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid (CID 7041086) is (2S,4S)-1-(4-fluorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4S)-1-(4-fluorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4S)-1-(4-fluorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of (2S,4S)-1-(4-fluorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is YDYGDLFTYNVSOS-WPRPVWTQSA-N. The full InChI is InChI=1S/C11H12FNO5S/c12-7-1-3-9(4-2-7)19(17,18)13-6-8(14)5-10(13)11(15)16/h1-4,8,10,14H,5-6H2,(H,15,16)/t8-,10-/m0/s1.
What are the key properties of (2S,4S)-1-(4-fluorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid?
(2S,4S)-1-(4-fluorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 289.28 g/mol, XLogP of 0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-1-(4-fluorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 7041086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).