1-(2,5-dichlorophenyl)sulfonylpyrrolidine-2-carboxylic acid

C11H11Cl2NO4S — CID 624110

IUPAC1-(2,5-dichlorophenyl)sulfonylpyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C11H11Cl2NO4S/c12-7-3-4-8(13)10(6-7)19(17,18)14-5-1-2-9(14)11(15)16/h3-4,6,9H,1-2,5H2,(H,15,16)
InChIKeyOQAUWSPVIGNYLE-UHFFFAOYSA-N
MW324.19 g/mol
LogP2.23
Rot. Bonds3

About 1-(2,5-dichlorophenyl)sulfonylpyrrolidine-2-carboxylic acid

1-(2,5-dichlorophenyl)sulfonylpyrrolidine-2-carboxylic acid (PubChem CID 624110) has the molecular formula C11H11Cl2NO4S and a molecular weight of 324.19 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)sulfonylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)sulfonylpyrrolidine-2-carboxylic acid
PubChem CID624110
Molecular FormulaC11H11Cl2NO4S
Molecular Weight324.19 g/mol
Exact Mass322.98
IUPAC Name1-(2,5-dichlorophenyl)sulfonylpyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C11H11Cl2NO4S/c12-7-3-4-8(13)10(6-7)19(17,18)14-5-1-2-9(14)11(15)16/h3-4,6,9H,1-2,5H2,(H,15,16)
InChIKeyOQAUWSPVIGNYLE-UHFFFAOYSA-N
XLogP2.23
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.19
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)sulfonylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(2,5-dichlorophenyl)sulfonylpyrrolidine-2-carboxylic acid (CID 624110) is 1-(2,5-dichlorophenyl)sulfonylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(2,5-dichlorophenyl)sulfonylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(2,5-dichlorophenyl)sulfonylpyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1S(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(2,5-dichlorophenyl)sulfonylpyrrolidine-2-carboxylic acid?
The InChIKey is OQAUWSPVIGNYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2NO4S/c12-7-3-4-8(13)10(6-7)19(17,18)14-5-1-2-9(14)11(15)16/h3-4,6,9H,1-2,5H2,(H,15,16).
What are the key properties of 1-(2,5-dichlorophenyl)sulfonylpyrrolidine-2-carboxylic acid?
1-(2,5-dichlorophenyl)sulfonylpyrrolidine-2-carboxylic acid has a molecular weight of 324.19 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)sulfonylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 624110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).