N-methyl-9,10-dioxoanthracene-2-sulfonamide

C15H11NO4S — CID 7113016

IUPACN-methyl-9,10-dioxoanthracene-2-sulfonamide
SMILESCNS(=O)(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C15H11NO4S/c1-16-21(19,20)9-6-7-12-13(8-9)15(18)11-5-3-2-4-10(11)14(12)17/h2-8,16H,1H3
InChIKeyGUKLXGBVIZNLMF-UHFFFAOYSA-N
MW301.32 g/mol
LogP1.37
Rot. Bonds2

About N-methyl-9,10-dioxoanthracene-2-sulfonamide

N-methyl-9,10-dioxoanthracene-2-sulfonamide (PubChem CID 7113016) has the molecular formula C15H11NO4S and a molecular weight of 301.32 g/mol. Its IUPAC name is N-methyl-9,10-dioxoanthracene-2-sulfonamide.

Molecular Properties

Compound NameN-methyl-9,10-dioxoanthracene-2-sulfonamide
PubChem CID7113016
Molecular FormulaC15H11NO4S
Molecular Weight301.32 g/mol
Exact Mass301.04
IUPAC NameN-methyl-9,10-dioxoanthracene-2-sulfonamide
SMILESCNS(=O)(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C15H11NO4S/c1-16-21(19,20)9-6-7-12-13(8-9)15(18)11-5-3-2-4-10(11)14(12)17/h2-8,16H,1H3
InChIKeyGUKLXGBVIZNLMF-UHFFFAOYSA-N
XLogP1.37
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-9,10-dioxoanthracene-2-sulfonamide?
The IUPAC name of N-methyl-9,10-dioxoanthracene-2-sulfonamide (CID 7113016) is N-methyl-9,10-dioxoanthracene-2-sulfonamide.
What is the SMILES notation for N-methyl-9,10-dioxoanthracene-2-sulfonamide?
The canonical SMILES for N-methyl-9,10-dioxoanthracene-2-sulfonamide is CNS(=O)(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O.
What is the InChIKey of N-methyl-9,10-dioxoanthracene-2-sulfonamide?
The InChIKey is GUKLXGBVIZNLMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO4S/c1-16-21(19,20)9-6-7-12-13(8-9)15(18)11-5-3-2-4-10(11)14(12)17/h2-8,16H,1H3.
What are the key properties of N-methyl-9,10-dioxoanthracene-2-sulfonamide?
N-methyl-9,10-dioxoanthracene-2-sulfonamide has a molecular weight of 301.32 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-9,10-dioxoanthracene-2-sulfonamide is sourced from PubChem (CID 7113016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).