5-oxo-1-(4-sulfamoylphenyl)pyrrolidine-3-carboxylic acid

C11H12N2O5S — CID 5144111

IUPAC5-oxo-1-(4-sulfamoylphenyl)pyrrolidine-3-carboxylic acid
SMILESNS(=O)(=O)c1ccc(N2CC(C(=O)O)CC2=O)cc1
InChIInChI=1S/C11H12N2O5S/c12-19(17,18)9-3-1-8(2-4-9)13-6-7(11(15)16)5-10(13)14/h1-4,7H,5-6H2,(H,15,16)(H2,12,17,18)
InChIKeyPQTYDOPYQOAELL-UHFFFAOYSA-N
MW284.29 g/mol
LogP-0.23
Rot. Bonds3

About 5-oxo-1-(4-sulfamoylphenyl)pyrrolidine-3-carboxylic acid

5-oxo-1-(4-sulfamoylphenyl)pyrrolidine-3-carboxylic acid (PubChem CID 5144111) has the molecular formula C11H12N2O5S and a molecular weight of 284.29 g/mol. Its IUPAC name is 5-oxo-1-(4-sulfamoylphenyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name5-oxo-1-(4-sulfamoylphenyl)pyrrolidine-3-carboxylic acid
PubChem CID5144111
Molecular FormulaC11H12N2O5S
Molecular Weight284.29 g/mol
Exact Mass284.05
IUPAC Name5-oxo-1-(4-sulfamoylphenyl)pyrrolidine-3-carboxylic acid
SMILESNS(=O)(=O)c1ccc(N2CC(C(=O)O)CC2=O)cc1
InChIInChI=1S/C11H12N2O5S/c12-19(17,18)9-3-1-8(2-4-9)13-6-7(11(15)16)5-10(13)14/h1-4,7H,5-6H2,(H,15,16)(H2,12,17,18)
InChIKeyPQTYDOPYQOAELL-UHFFFAOYSA-N
XLogP-0.23
TPSA117.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Sulfasuccinamide
CID 60582
Benzenesulfonamide, 4-(2-oxo-1-pyrrolidinyl)-
CID 215697
Succinylsulfacetamide
CID 19656
5-Oxo-1-phenylpyrrolidine-3-carboxylic acid
CID 2737107
5-oxo-1-phenyl-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide
CID 17080567
Methyl 1-[4-(aminosulfonyl)phenyl]-5-oxo-3-pyrrolidinecarboxylate
CID 50873964
1-(4-Chlorosulfonyl-3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 155513742
1-(3,5-Dimethyl-4-sulfamoylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 155514238
Methyl 1-(3,5-dimethyl-4-sulfamoylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 155515322
1-(2,5-Dimethyl-4-sulfamoylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 155553815
1-tert-butyl-5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide
CID 6497355
1-(4-Acetylamino-benzenesulfonyl)-piperidine-4-carboxylic acid
CID 788623

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-(4-sulfamoylphenyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 5-oxo-1-(4-sulfamoylphenyl)pyrrolidine-3-carboxylic acid (CID 5144111) is 5-oxo-1-(4-sulfamoylphenyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 5-oxo-1-(4-sulfamoylphenyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 5-oxo-1-(4-sulfamoylphenyl)pyrrolidine-3-carboxylic acid is NS(=O)(=O)c1ccc(N2CC(C(=O)O)CC2=O)cc1.
What is the InChIKey of 5-oxo-1-(4-sulfamoylphenyl)pyrrolidine-3-carboxylic acid?
The InChIKey is PQTYDOPYQOAELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O5S/c12-19(17,18)9-3-1-8(2-4-9)13-6-7(11(15)16)5-10(13)14/h1-4,7H,5-6H2,(H,15,16)(H2,12,17,18).
What are the key properties of 5-oxo-1-(4-sulfamoylphenyl)pyrrolidine-3-carboxylic acid?
5-oxo-1-(4-sulfamoylphenyl)pyrrolidine-3-carboxylic acid has a molecular weight of 284.29 g/mol, XLogP of -0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-(4-sulfamoylphenyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 5144111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).