1-(3-formyl-4-oxochromen-2-yl)-5-oxopyrrolidine-3-sulfonamide

C14H12N2O6S — CID 168718067

IUPAC1-(3-formyl-4-oxochromen-2-yl)-5-oxopyrrolidine-3-sulfonamide
SMILESNS(=O)(=O)C1CC(=O)N(c2oc3ccccc3c(=O)c2C=O)C1
InChIInChI=1S/C14H12N2O6S/c15-23(20,21)8-5-12(18)16(6-8)14-10(7-17)13(19)9-3-1-2-4-11(9)22-14/h1-4,7-8H,5-6H2,(H2,15,20,21)
InChIKeyHYLSWVJGYCGTOU-UHFFFAOYSA-N
MW336.32 g/mol
LogP-0.00
Rot. Bonds3

About 1-(3-formyl-4-oxochromen-2-yl)-5-oxopyrrolidine-3-sulfonamide

1-(3-formyl-4-oxochromen-2-yl)-5-oxopyrrolidine-3-sulfonamide (PubChem CID 168718067) has the molecular formula C14H12N2O6S and a molecular weight of 336.32 g/mol. Its IUPAC name is 1-(3-formyl-4-oxochromen-2-yl)-5-oxopyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name1-(3-formyl-4-oxochromen-2-yl)-5-oxopyrrolidine-3-sulfonamide
PubChem CID168718067
Molecular FormulaC14H12N2O6S
Molecular Weight336.32 g/mol
Exact Mass336.04
IUPAC Name1-(3-formyl-4-oxochromen-2-yl)-5-oxopyrrolidine-3-sulfonamide
SMILESNS(=O)(=O)C1CC(=O)N(c2oc3ccccc3c(=O)c2C=O)C1
InChIInChI=1S/C14H12N2O6S/c15-23(20,21)8-5-12(18)16(6-8)14-10(7-17)13(19)9-3-1-2-4-11(9)22-14/h1-4,7-8H,5-6H2,(H2,15,20,21)
InChIKeyHYLSWVJGYCGTOU-UHFFFAOYSA-N
XLogP-0.00
TPSA127.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.32
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-(3-formyl-4-oxochromen-2-yl)-5-oxopyrrolidine-3-sulfonamide 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 1-(3-formyl-4-oxochromen-2-yl)-5-oxopyrrolidine-3-sulfonamide?
The IUPAC name of 1-(3-formyl-4-oxochromen-2-yl)-5-oxopyrrolidine-3-sulfonamide (CID 168718067) is 1-(3-formyl-4-oxochromen-2-yl)-5-oxopyrrolidine-3-sulfonamide.
What is the SMILES notation for 1-(3-formyl-4-oxochromen-2-yl)-5-oxopyrrolidine-3-sulfonamide?
The canonical SMILES for 1-(3-formyl-4-oxochromen-2-yl)-5-oxopyrrolidine-3-sulfonamide is NS(=O)(=O)C1CC(=O)N(c2oc3ccccc3c(=O)c2C=O)C1.
What is the InChIKey of 1-(3-formyl-4-oxochromen-2-yl)-5-oxopyrrolidine-3-sulfonamide?
The InChIKey is HYLSWVJGYCGTOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O6S/c15-23(20,21)8-5-12(18)16(6-8)14-10(7-17)13(19)9-3-1-2-4-11(9)22-14/h1-4,7-8H,5-6H2,(H2,15,20,21).
What are the key properties of 1-(3-formyl-4-oxochromen-2-yl)-5-oxopyrrolidine-3-sulfonamide?
1-(3-formyl-4-oxochromen-2-yl)-5-oxopyrrolidine-3-sulfonamide has a molecular weight of 336.32 g/mol, XLogP of -0.00, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-formyl-4-oxochromen-2-yl)-5-oxopyrrolidine-3-sulfonamide is sourced from PubChem (CID 168718067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).