5-oxo-1-[4-(propylsulfamoyl)phenyl]pyrrolidine-3-carboxylic acid

C14H18N2O5S — CID 166178753

IUPAC5-oxo-1-[4-(propylsulfamoyl)phenyl]pyrrolidine-3-carboxylic acid
SMILESCCCNS(=O)(=O)c1ccc(N2CC(C(=O)O)CC2=O)cc1
InChIInChI=1S/C14H18N2O5S/c1-2-7-15-22(20,21)12-5-3-11(4-6-12)16-9-10(14(18)19)8-13(16)17/h3-6,10,15H,2,7-9H2,1H3,(H,18,19)
InChIKeyQUOADVSHLHRUGV-UHFFFAOYSA-N
MW326.37 g/mol
LogP0.81
Rot. Bonds6

About 5-oxo-1-[4-(propylsulfamoyl)phenyl]pyrrolidine-3-carboxylic acid

5-oxo-1-[4-(propylsulfamoyl)phenyl]pyrrolidine-3-carboxylic acid (PubChem CID 166178753) has the molecular formula C14H18N2O5S and a molecular weight of 326.37 g/mol. Its IUPAC name is 5-oxo-1-[4-(propylsulfamoyl)phenyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name5-oxo-1-[4-(propylsulfamoyl)phenyl]pyrrolidine-3-carboxylic acid
PubChem CID166178753
Molecular FormulaC14H18N2O5S
Molecular Weight326.37 g/mol
Exact Mass326.09
IUPAC Name5-oxo-1-[4-(propylsulfamoyl)phenyl]pyrrolidine-3-carboxylic acid
SMILESCCCNS(=O)(=O)c1ccc(N2CC(C(=O)O)CC2=O)cc1
InChIInChI=1S/C14H18N2O5S/c1-2-7-15-22(20,21)12-5-3-11(4-6-12)16-9-10(14(18)19)8-13(16)17/h3-6,10,15H,2,7-9H2,1H3,(H,18,19)
InChIKeyQUOADVSHLHRUGV-UHFFFAOYSA-N
XLogP0.81
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-[4-(propylsulfamoyl)phenyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 5-oxo-1-[4-(propylsulfamoyl)phenyl]pyrrolidine-3-carboxylic acid (CID 166178753) is 5-oxo-1-[4-(propylsulfamoyl)phenyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 5-oxo-1-[4-(propylsulfamoyl)phenyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 5-oxo-1-[4-(propylsulfamoyl)phenyl]pyrrolidine-3-carboxylic acid is CCCNS(=O)(=O)c1ccc(N2CC(C(=O)O)CC2=O)cc1.
What is the InChIKey of 5-oxo-1-[4-(propylsulfamoyl)phenyl]pyrrolidine-3-carboxylic acid?
The InChIKey is QUOADVSHLHRUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5S/c1-2-7-15-22(20,21)12-5-3-11(4-6-12)16-9-10(14(18)19)8-13(16)17/h3-6,10,15H,2,7-9H2,1H3,(H,18,19).
What are the key properties of 5-oxo-1-[4-(propylsulfamoyl)phenyl]pyrrolidine-3-carboxylic acid?
5-oxo-1-[4-(propylsulfamoyl)phenyl]pyrrolidine-3-carboxylic acid has a molecular weight of 326.37 g/mol, XLogP of 0.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-[4-(propylsulfamoyl)phenyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 166178753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).