4-(4-formyl-3-pyridin-4-yl-4H-chromen-2-yl)benzenesulfonamide

C21H16N2O4S — CID 174365455

IUPAC4-(4-formyl-3-pyridin-4-yl-4H-chromen-2-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C2=C(c3ccncc3)C(C=O)c3ccccc3O2)cc1
InChIInChI=1S/C21H16N2O4S/c22-28(25,26)16-7-5-15(6-8-16)21-20(14-9-11-23-12-10-14)18(13-24)17-3-1-2-4-19(17)27-21/h1-13,18H,(H2,22,25,26)
InChIKeyCEYIGDKKJROTEU-UHFFFAOYSA-N
MW392.44 g/mol
LogP2.97
Rot. Bonds4

About 4-(4-formyl-3-pyridin-4-yl-4H-chromen-2-yl)benzenesulfonamide

4-(4-formyl-3-pyridin-4-yl-4H-chromen-2-yl)benzenesulfonamide (PubChem CID 174365455) has the molecular formula C21H16N2O4S and a molecular weight of 392.44 g/mol. Its IUPAC name is 4-(4-formyl-3-pyridin-4-yl-4H-chromen-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(4-formyl-3-pyridin-4-yl-4H-chromen-2-yl)benzenesulfonamide
PubChem CID174365455
Molecular FormulaC21H16N2O4S
Molecular Weight392.44 g/mol
Exact Mass392.08
IUPAC Name4-(4-formyl-3-pyridin-4-yl-4H-chromen-2-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C2=C(c3ccncc3)C(C=O)c3ccccc3O2)cc1
InChIInChI=1S/C21H16N2O4S/c22-28(25,26)16-7-5-15(6-8-16)21-20(14-9-11-23-12-10-14)18(13-24)17-3-1-2-4-19(17)27-21/h1-13,18H,(H2,22,25,26)
InChIKeyCEYIGDKKJROTEU-UHFFFAOYSA-N
XLogP2.97
TPSA99.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(4-formyl-3-pyridin-4-yl-4H-chromen-2-yl)benzenesulfonamide 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-(4-formyl-3-pyridin-4-yl-4H-chromen-2-yl)benzenesulfonamide?
The IUPAC name of 4-(4-formyl-3-pyridin-4-yl-4H-chromen-2-yl)benzenesulfonamide (CID 174365455) is 4-(4-formyl-3-pyridin-4-yl-4H-chromen-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-(4-formyl-3-pyridin-4-yl-4H-chromen-2-yl)benzenesulfonamide?
The canonical SMILES for 4-(4-formyl-3-pyridin-4-yl-4H-chromen-2-yl)benzenesulfonamide is NS(=O)(=O)c1ccc(C2=C(c3ccncc3)C(C=O)c3ccccc3O2)cc1.
What is the InChIKey of 4-(4-formyl-3-pyridin-4-yl-4H-chromen-2-yl)benzenesulfonamide?
The InChIKey is CEYIGDKKJROTEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O4S/c22-28(25,26)16-7-5-15(6-8-16)21-20(14-9-11-23-12-10-14)18(13-24)17-3-1-2-4-19(17)27-21/h1-13,18H,(H2,22,25,26).
What are the key properties of 4-(4-formyl-3-pyridin-4-yl-4H-chromen-2-yl)benzenesulfonamide?
4-(4-formyl-3-pyridin-4-yl-4H-chromen-2-yl)benzenesulfonamide has a molecular weight of 392.44 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-formyl-3-pyridin-4-yl-4H-chromen-2-yl)benzenesulfonamide is sourced from PubChem (CID 174365455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).