N-methyl-9,10-dioxo-N-(4-oxo-4-pyrrolidin-1-ylbutyl)anthracene-2-sulfonamide

C23H24N2O5S — CID 16805073

IUPACN-methyl-9,10-dioxo-N-(4-oxo-4-pyrrolidin-1-ylbutyl)anthracene-2-sulfonamide
SMILESCN(CCCC(=O)N1CCCC1)S(=O)(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C23H24N2O5S/c1-24(12-6-9-21(26)25-13-4-5-14-25)31(29,30)16-10-11-19-20(15-16)23(28)18-8-3-2-7-17(18)22(19)27/h2-3,7-8,10-11,15H,4-6,9,12-14H2,1H3
InChIKeyHDEXLQAGMCCXAS-UHFFFAOYSA-N
MW440.52 g/mol
LogP2.49
Rot. Bonds6

About N-methyl-9,10-dioxo-N-(4-oxo-4-pyrrolidin-1-ylbutyl)anthracene-2-sulfonamide

N-methyl-9,10-dioxo-N-(4-oxo-4-pyrrolidin-1-ylbutyl)anthracene-2-sulfonamide (PubChem CID 16805073) has the molecular formula C23H24N2O5S and a molecular weight of 440.52 g/mol. Its IUPAC name is N-methyl-9,10-dioxo-N-(4-oxo-4-pyrrolidin-1-ylbutyl)anthracene-2-sulfonamide.

Molecular Properties

Compound NameN-methyl-9,10-dioxo-N-(4-oxo-4-pyrrolidin-1-ylbutyl)anthracene-2-sulfonamide
PubChem CID16805073
Molecular FormulaC23H24N2O5S
Molecular Weight440.52 g/mol
Exact Mass440.14
IUPAC NameN-methyl-9,10-dioxo-N-(4-oxo-4-pyrrolidin-1-ylbutyl)anthracene-2-sulfonamide
SMILESCN(CCCC(=O)N1CCCC1)S(=O)(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C23H24N2O5S/c1-24(12-6-9-21(26)25-13-4-5-14-25)31(29,30)16-10-11-19-20(15-16)23(28)18-8-3-2-7-17(18)22(19)27/h2-3,7-8,10-11,15H,4-6,9,12-14H2,1H3
InChIKeyHDEXLQAGMCCXAS-UHFFFAOYSA-N
XLogP2.49
TPSA91.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.52
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

Analyze N-methyl-9,10-dioxo-N-(4-oxo-4-pyrrolidin-1-ylbutyl)anthracene-2-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 N-methyl-9,10-dioxo-N-(4-oxo-4-pyrrolidin-1-ylbutyl)anthracene-2-sulfonamide?
The IUPAC name of N-methyl-9,10-dioxo-N-(4-oxo-4-pyrrolidin-1-ylbutyl)anthracene-2-sulfonamide (CID 16805073) is N-methyl-9,10-dioxo-N-(4-oxo-4-pyrrolidin-1-ylbutyl)anthracene-2-sulfonamide.
What is the SMILES notation for N-methyl-9,10-dioxo-N-(4-oxo-4-pyrrolidin-1-ylbutyl)anthracene-2-sulfonamide?
The canonical SMILES for N-methyl-9,10-dioxo-N-(4-oxo-4-pyrrolidin-1-ylbutyl)anthracene-2-sulfonamide is CN(CCCC(=O)N1CCCC1)S(=O)(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O.
What is the InChIKey of N-methyl-9,10-dioxo-N-(4-oxo-4-pyrrolidin-1-ylbutyl)anthracene-2-sulfonamide?
The InChIKey is HDEXLQAGMCCXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O5S/c1-24(12-6-9-21(26)25-13-4-5-14-25)31(29,30)16-10-11-19-20(15-16)23(28)18-8-3-2-7-17(18)22(19)27/h2-3,7-8,10-11,15H,4-6,9,12-14H2,1H3.
What are the key properties of N-methyl-9,10-dioxo-N-(4-oxo-4-pyrrolidin-1-ylbutyl)anthracene-2-sulfonamide?
N-methyl-9,10-dioxo-N-(4-oxo-4-pyrrolidin-1-ylbutyl)anthracene-2-sulfonamide has a molecular weight of 440.52 g/mol, XLogP of 2.49, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-9,10-dioxo-N-(4-oxo-4-pyrrolidin-1-ylbutyl)anthracene-2-sulfonamide is sourced from PubChem (CID 16805073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).