1-(4-chlorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid

C11H12ClNO5S — CID 2945073

IUPAC1-(4-chlorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CC(O)CN1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H12ClNO5S/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)
InChIKeyAFRSUXWJUFUMFM-UHFFFAOYSA-N
MW305.74 g/mol
LogP0.55
Rot. Bonds3

About 1-(4-chlorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid

1-(4-chlorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 2945073) has the molecular formula C11H12ClNO5S and a molecular weight of 305.74 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID2945073
Molecular FormulaC11H12ClNO5S
Molecular Weight305.74 g/mol
Exact Mass305.01
IUPAC Name1-(4-chlorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CC(O)CN1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H12ClNO5S/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)
InChIKeyAFRSUXWJUFUMFM-UHFFFAOYSA-N
XLogP0.55
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.74
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid (CID 2945073) is 1-(4-chlorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid is O=C(O)C1CC(O)CN1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is AFRSUXWJUFUMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO5S/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).
What are the key properties of 1-(4-chlorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid?
1-(4-chlorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 305.74 g/mol, XLogP of 0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 2945073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).