(2-oxo-2-pyrrolidin-1-ylethyl) 3-(methylsulfamoyl)benzoate

C14H18N2O5S — CID 2405143

IUPAC(2-oxo-2-pyrrolidin-1-ylethyl) 3-(methylsulfamoyl)benzoate
SMILESCNS(=O)(=O)c1cccc(C(=O)OCC(=O)N2CCCC2)c1
InChIInChI=1S/C14H18N2O5S/c1-15-22(19,20)12-6-4-5-11(9-12)14(18)21-10-13(17)16-7-2-3-8-16/h4-6,9,15H,2-3,7-8,10H2,1H3
InChIKeyLJQOYOJNFAEUMH-UHFFFAOYSA-N
MW326.37 g/mol
LogP0.37
Rot. Bonds5

About (2-oxo-2-pyrrolidin-1-ylethyl) 3-(methylsulfamoyl)benzoate

(2-oxo-2-pyrrolidin-1-ylethyl) 3-(methylsulfamoyl)benzoate (PubChem CID 2405143) has the molecular formula C14H18N2O5S and a molecular weight of 326.37 g/mol. Its IUPAC name is (2-oxo-2-pyrrolidin-1-ylethyl) 3-(methylsulfamoyl)benzoate.

Molecular Properties

Compound Name(2-oxo-2-pyrrolidin-1-ylethyl) 3-(methylsulfamoyl)benzoate
PubChem CID2405143
Molecular FormulaC14H18N2O5S
Molecular Weight326.37 g/mol
Exact Mass326.09
IUPAC Name(2-oxo-2-pyrrolidin-1-ylethyl) 3-(methylsulfamoyl)benzoate
SMILESCNS(=O)(=O)c1cccc(C(=O)OCC(=O)N2CCCC2)c1
InChIInChI=1S/C14H18N2O5S/c1-15-22(19,20)12-6-4-5-11(9-12)14(18)21-10-13(17)16-7-2-3-8-16/h4-6,9,15H,2-3,7-8,10H2,1H3
InChIKeyLJQOYOJNFAEUMH-UHFFFAOYSA-N
XLogP0.37
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2-oxo-2-pyrrolidin-1-ylethyl) 3-(methylsulfamoyl)benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-pyrrolidin-1-ylethyl) 3-(methylsulfamoyl)benzoate?
The IUPAC name of (2-oxo-2-pyrrolidin-1-ylethyl) 3-(methylsulfamoyl)benzoate (CID 2405143) is (2-oxo-2-pyrrolidin-1-ylethyl) 3-(methylsulfamoyl)benzoate.
What is the SMILES notation for (2-oxo-2-pyrrolidin-1-ylethyl) 3-(methylsulfamoyl)benzoate?
The canonical SMILES for (2-oxo-2-pyrrolidin-1-ylethyl) 3-(methylsulfamoyl)benzoate is CNS(=O)(=O)c1cccc(C(=O)OCC(=O)N2CCCC2)c1.
What is the InChIKey of (2-oxo-2-pyrrolidin-1-ylethyl) 3-(methylsulfamoyl)benzoate?
The InChIKey is LJQOYOJNFAEUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5S/c1-15-22(19,20)12-6-4-5-11(9-12)14(18)21-10-13(17)16-7-2-3-8-16/h4-6,9,15H,2-3,7-8,10H2,1H3.
What are the key properties of (2-oxo-2-pyrrolidin-1-ylethyl) 3-(methylsulfamoyl)benzoate?
(2-oxo-2-pyrrolidin-1-ylethyl) 3-(methylsulfamoyl)benzoate has a molecular weight of 326.37 g/mol, XLogP of 0.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-pyrrolidin-1-ylethyl) 3-(methylsulfamoyl)benzoate is sourced from PubChem (CID 2405143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).