(2S)-1-(2-chloro-5-fluorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid

C11H11ClFNO5S — CID 105399718

IUPAC(2S)-1-(2-chloro-5-fluorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CC(O)CN1S(=O)(=O)c1cc(F)ccc1Cl
InChIInChI=1S/C11H11ClFNO5S/c12-8-2-1-6(13)3-10(8)20(18,19)14-5-7(15)4-9(14)11(16)17/h1-3,7,9,15H,4-5H2,(H,16,17)/t7?,9-/m0/s1
InChIKeyQLLWGFLWTPEZAW-NETXQHHPSA-N
MW323.73 g/mol
LogP0.69
Rot. Bonds3

About (2S)-1-(2-chloro-5-fluorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid

(2S)-1-(2-chloro-5-fluorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 105399718) has the molecular formula C11H11ClFNO5S and a molecular weight of 323.73 g/mol. Its IUPAC name is (2S)-1-(2-chloro-5-fluorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(2-chloro-5-fluorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID105399718
Molecular FormulaC11H11ClFNO5S
Molecular Weight323.73 g/mol
Exact Mass323.00
IUPAC Name(2S)-1-(2-chloro-5-fluorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CC(O)CN1S(=O)(=O)c1cc(F)ccc1Cl
InChIInChI=1S/C11H11ClFNO5S/c12-8-2-1-6(13)3-10(8)20(18,19)14-5-7(15)4-9(14)11(16)17/h1-3,7,9,15H,4-5H2,(H,16,17)/t7?,9-/m0/s1
InChIKeyQLLWGFLWTPEZAW-NETXQHHPSA-N
XLogP0.69
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.73
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-chloro-5-fluorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(2-chloro-5-fluorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid (CID 105399718) is (2S)-1-(2-chloro-5-fluorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(2-chloro-5-fluorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(2-chloro-5-fluorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1CC(O)CN1S(=O)(=O)c1cc(F)ccc1Cl.
What is the InChIKey of (2S)-1-(2-chloro-5-fluorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is QLLWGFLWTPEZAW-NETXQHHPSA-N. The full InChI is InChI=1S/C11H11ClFNO5S/c12-8-2-1-6(13)3-10(8)20(18,19)14-5-7(15)4-9(14)11(16)17/h1-3,7,9,15H,4-5H2,(H,16,17)/t7?,9-/m0/s1.
What are the key properties of (2S)-1-(2-chloro-5-fluorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid?
(2S)-1-(2-chloro-5-fluorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 323.73 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-chloro-5-fluorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 105399718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).