4-methoxy-3-[3-(2-oxopyrrolidin-1-yl)propylsulfamoyl]benzoic acid

C15H20N2O6S — CID 2378290

IUPAC4-methoxy-3-[3-(2-oxopyrrolidin-1-yl)propylsulfamoyl]benzoic acid
SMILESCOc1ccc(C(=O)O)cc1S(=O)(=O)NCCCN1CCCC1=O
InChIInChI=1S/C15H20N2O6S/c1-23-12-6-5-11(15(19)20)10-13(12)24(21,22)16-7-3-9-17-8-2-4-14(17)18/h5-6,10,16H,2-4,7-9H2,1H3,(H,19,20)
InChIKeyFNYFEYANIYFLMU-UHFFFAOYSA-N
MW356.40 g/mol
LogP0.68
Rot. Bonds8

About 4-methoxy-3-[3-(2-oxopyrrolidin-1-yl)propylsulfamoyl]benzoic acid

4-methoxy-3-[3-(2-oxopyrrolidin-1-yl)propylsulfamoyl]benzoic acid (PubChem CID 2378290) has the molecular formula C15H20N2O6S and a molecular weight of 356.40 g/mol. Its IUPAC name is 4-methoxy-3-[3-(2-oxopyrrolidin-1-yl)propylsulfamoyl]benzoic acid.

Molecular Properties

Compound Name4-methoxy-3-[3-(2-oxopyrrolidin-1-yl)propylsulfamoyl]benzoic acid
PubChem CID2378290
Molecular FormulaC15H20N2O6S
Molecular Weight356.40 g/mol
Exact Mass356.10
IUPAC Name4-methoxy-3-[3-(2-oxopyrrolidin-1-yl)propylsulfamoyl]benzoic acid
SMILESCOc1ccc(C(=O)O)cc1S(=O)(=O)NCCCN1CCCC1=O
InChIInChI=1S/C15H20N2O6S/c1-23-12-6-5-11(15(19)20)10-13(12)24(21,22)16-7-3-9-17-8-2-4-14(17)18/h5-6,10,16H,2-4,7-9H2,1H3,(H,19,20)
InChIKeyFNYFEYANIYFLMU-UHFFFAOYSA-N
XLogP0.68
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-methoxy-3-[3-(2-oxopyrrolidin-1-yl)propylsulfamoyl]benzoic acid 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 4-methoxy-3-[3-(2-oxopyrrolidin-1-yl)propylsulfamoyl]benzoic acid?
The IUPAC name of 4-methoxy-3-[3-(2-oxopyrrolidin-1-yl)propylsulfamoyl]benzoic acid (CID 2378290) is 4-methoxy-3-[3-(2-oxopyrrolidin-1-yl)propylsulfamoyl]benzoic acid.
What is the SMILES notation for 4-methoxy-3-[3-(2-oxopyrrolidin-1-yl)propylsulfamoyl]benzoic acid?
The canonical SMILES for 4-methoxy-3-[3-(2-oxopyrrolidin-1-yl)propylsulfamoyl]benzoic acid is COc1ccc(C(=O)O)cc1S(=O)(=O)NCCCN1CCCC1=O.
What is the InChIKey of 4-methoxy-3-[3-(2-oxopyrrolidin-1-yl)propylsulfamoyl]benzoic acid?
The InChIKey is FNYFEYANIYFLMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O6S/c1-23-12-6-5-11(15(19)20)10-13(12)24(21,22)16-7-3-9-17-8-2-4-14(17)18/h5-6,10,16H,2-4,7-9H2,1H3,(H,19,20).
What are the key properties of 4-methoxy-3-[3-(2-oxopyrrolidin-1-yl)propylsulfamoyl]benzoic acid?
4-methoxy-3-[3-(2-oxopyrrolidin-1-yl)propylsulfamoyl]benzoic acid has a molecular weight of 356.40 g/mol, XLogP of 0.68, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[3-(2-oxopyrrolidin-1-yl)propylsulfamoyl]benzoic acid is sourced from PubChem (CID 2378290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).