4-[2-(5,7-dioxobenzo[d][2]benzazepin-6-yl)ethyl]benzenesulfonamide

C22H18N2O4S — CID 25048179

IUPAC4-[2-(5,7-dioxobenzo[d][2]benzazepin-6-yl)ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCn2c(=O)c3ccccc3c3ccccc3c2=O)cc1
InChIInChI=1S/C22H18N2O4S/c23-29(27,28)16-11-9-15(10-12-16)13-14-24-21(25)19-7-3-1-5-17(19)18-6-2-4-8-20(18)22(24)26/h1-12H,13-14H2,(H2,23,27,28)
InChIKeyWDLRTSLTGWUYMU-UHFFFAOYSA-N
MW406.46 g/mol
LogP2.40
Rot. Bonds4

About 4-[2-(5,7-dioxobenzo[d][2]benzazepin-6-yl)ethyl]benzenesulfonamide

4-[2-(5,7-dioxobenzo[d][2]benzazepin-6-yl)ethyl]benzenesulfonamide (PubChem CID 25048179) has the molecular formula C22H18N2O4S and a molecular weight of 406.46 g/mol. Its IUPAC name is 4-[2-(5,7-dioxobenzo[d][2]benzazepin-6-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(5,7-dioxobenzo[d][2]benzazepin-6-yl)ethyl]benzenesulfonamide
PubChem CID25048179
Molecular FormulaC22H18N2O4S
Molecular Weight406.46 g/mol
Exact Mass406.10
IUPAC Name4-[2-(5,7-dioxobenzo[d][2]benzazepin-6-yl)ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCn2c(=O)c3ccccc3c3ccccc3c2=O)cc1
InChIInChI=1S/C22H18N2O4S/c23-29(27,28)16-11-9-15(10-12-16)13-14-24-21(25)19-7-3-1-5-17(19)18-6-2-4-8-20(18)22(24)26/h1-12H,13-14H2,(H2,23,27,28)
InChIKeyWDLRTSLTGWUYMU-UHFFFAOYSA-N
XLogP2.40
TPSA99.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[2-(5,7-dioxobenzo[d][2]benzazepin-6-yl)ethyl]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-[2-(5,7-dioxobenzo[d][2]benzazepin-6-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-(5,7-dioxobenzo[d][2]benzazepin-6-yl)ethyl]benzenesulfonamide (CID 25048179) is 4-[2-(5,7-dioxobenzo[d][2]benzazepin-6-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-(5,7-dioxobenzo[d][2]benzazepin-6-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-(5,7-dioxobenzo[d][2]benzazepin-6-yl)ethyl]benzenesulfonamide is NS(=O)(=O)c1ccc(CCn2c(=O)c3ccccc3c3ccccc3c2=O)cc1.
What is the InChIKey of 4-[2-(5,7-dioxobenzo[d][2]benzazepin-6-yl)ethyl]benzenesulfonamide?
The InChIKey is WDLRTSLTGWUYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O4S/c23-29(27,28)16-11-9-15(10-12-16)13-14-24-21(25)19-7-3-1-5-17(19)18-6-2-4-8-20(18)22(24)26/h1-12H,13-14H2,(H2,23,27,28).
What are the key properties of 4-[2-(5,7-dioxobenzo[d][2]benzazepin-6-yl)ethyl]benzenesulfonamide?
4-[2-(5,7-dioxobenzo[d][2]benzazepin-6-yl)ethyl]benzenesulfonamide has a molecular weight of 406.46 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5,7-dioxobenzo[d][2]benzazepin-6-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 25048179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).