2-methyl-N-naphthalen-2-yl-1,3-dioxobenzo[de]isoquinoline-6-sulfonamide

C23H16N2O4S — CID 75366563

IUPAC2-methyl-N-naphthalen-2-yl-1,3-dioxobenzo[de]isoquinoline-6-sulfonamide
SMILESCN1C(=O)c2cccc3c(S(=O)(=O)Nc4ccc5ccccc5c4)ccc(c23)C1=O
InChIInChI=1S/C23H16N2O4S/c1-25-22(26)18-8-4-7-17-20(12-11-19(21(17)18)23(25)27)30(28,29)24-16-10-9-14-5-2-3-6-15(14)13-16/h2-13,24H,1H3
InChIKeyLHYVERSOXAOUMQ-UHFFFAOYSA-N
MW416.46 g/mol
LogP4.02
Rot. Bonds3

About 2-methyl-N-naphthalen-2-yl-1,3-dioxobenzo[de]isoquinoline-6-sulfonamide

2-methyl-N-naphthalen-2-yl-1,3-dioxobenzo[de]isoquinoline-6-sulfonamide (PubChem CID 75366563) has the molecular formula C23H16N2O4S and a molecular weight of 416.46 g/mol. Its IUPAC name is 2-methyl-N-naphthalen-2-yl-1,3-dioxobenzo[de]isoquinoline-6-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-naphthalen-2-yl-1,3-dioxobenzo[de]isoquinoline-6-sulfonamide
PubChem CID75366563
Molecular FormulaC23H16N2O4S
Molecular Weight416.46 g/mol
Exact Mass416.08
IUPAC Name2-methyl-N-naphthalen-2-yl-1,3-dioxobenzo[de]isoquinoline-6-sulfonamide
SMILESCN1C(=O)c2cccc3c(S(=O)(=O)Nc4ccc5ccccc5c4)ccc(c23)C1=O
InChIInChI=1S/C23H16N2O4S/c1-25-22(26)18-8-4-7-17-20(12-11-19(21(17)18)23(25)27)30(28,29)24-16-10-9-14-5-2-3-6-15(14)13-16/h2-13,24H,1H3
InChIKeyLHYVERSOXAOUMQ-UHFFFAOYSA-N
XLogP4.02
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-methyl-N-naphthalen-2-yl-1,3-dioxobenzo[de]isoquinoline-6-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 2-methyl-N-naphthalen-2-yl-1,3-dioxobenzo[de]isoquinoline-6-sulfonamide?
The IUPAC name of 2-methyl-N-naphthalen-2-yl-1,3-dioxobenzo[de]isoquinoline-6-sulfonamide (CID 75366563) is 2-methyl-N-naphthalen-2-yl-1,3-dioxobenzo[de]isoquinoline-6-sulfonamide.
What is the SMILES notation for 2-methyl-N-naphthalen-2-yl-1,3-dioxobenzo[de]isoquinoline-6-sulfonamide?
The canonical SMILES for 2-methyl-N-naphthalen-2-yl-1,3-dioxobenzo[de]isoquinoline-6-sulfonamide is CN1C(=O)c2cccc3c(S(=O)(=O)Nc4ccc5ccccc5c4)ccc(c23)C1=O.
What is the InChIKey of 2-methyl-N-naphthalen-2-yl-1,3-dioxobenzo[de]isoquinoline-6-sulfonamide?
The InChIKey is LHYVERSOXAOUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N2O4S/c1-25-22(26)18-8-4-7-17-20(12-11-19(21(17)18)23(25)27)30(28,29)24-16-10-9-14-5-2-3-6-15(14)13-16/h2-13,24H,1H3.
What are the key properties of 2-methyl-N-naphthalen-2-yl-1,3-dioxobenzo[de]isoquinoline-6-sulfonamide?
2-methyl-N-naphthalen-2-yl-1,3-dioxobenzo[de]isoquinoline-6-sulfonamide has a molecular weight of 416.46 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-naphthalen-2-yl-1,3-dioxobenzo[de]isoquinoline-6-sulfonamide is sourced from PubChem (CID 75366563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).