N-ethyl-9,10-dioxoanthracene-1-sulfonamide

C16H13NO4S — CID 3256725

IUPACN-ethyl-9,10-dioxoanthracene-1-sulfonamide
SMILESCCNS(=O)(=O)c1cccc2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C16H13NO4S/c1-2-17-22(20,21)13-9-5-8-12-14(13)16(19)11-7-4-3-6-10(11)15(12)18/h3-9,17H,2H2,1H3
InChIKeyALWYVOBRUCDALP-UHFFFAOYSA-N
MW315.35 g/mol
LogP1.76
Rot. Bonds3

About N-ethyl-9,10-dioxoanthracene-1-sulfonamide

N-ethyl-9,10-dioxoanthracene-1-sulfonamide (PubChem CID 3256725) has the molecular formula C16H13NO4S and a molecular weight of 315.35 g/mol. Its IUPAC name is N-ethyl-9,10-dioxoanthracene-1-sulfonamide.

Molecular Properties

Compound NameN-ethyl-9,10-dioxoanthracene-1-sulfonamide
PubChem CID3256725
Molecular FormulaC16H13NO4S
Molecular Weight315.35 g/mol
Exact Mass315.06
IUPAC NameN-ethyl-9,10-dioxoanthracene-1-sulfonamide
SMILESCCNS(=O)(=O)c1cccc2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C16H13NO4S/c1-2-17-22(20,21)13-9-5-8-12-14(13)16(19)11-7-4-3-6-10(11)15(12)18/h3-9,17H,2H2,1H3
InChIKeyALWYVOBRUCDALP-UHFFFAOYSA-N
XLogP1.76
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-ethyl-9,10-dioxoanthracene-1-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-ethyl-9,10-dioxoanthracene-1-sulfonamide?
The IUPAC name of N-ethyl-9,10-dioxoanthracene-1-sulfonamide (CID 3256725) is N-ethyl-9,10-dioxoanthracene-1-sulfonamide.
What is the SMILES notation for N-ethyl-9,10-dioxoanthracene-1-sulfonamide?
The canonical SMILES for N-ethyl-9,10-dioxoanthracene-1-sulfonamide is CCNS(=O)(=O)c1cccc2c1C(=O)c1ccccc1C2=O.
What is the InChIKey of N-ethyl-9,10-dioxoanthracene-1-sulfonamide?
The InChIKey is ALWYVOBRUCDALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO4S/c1-2-17-22(20,21)13-9-5-8-12-14(13)16(19)11-7-4-3-6-10(11)15(12)18/h3-9,17H,2H2,1H3.
What are the key properties of N-ethyl-9,10-dioxoanthracene-1-sulfonamide?
N-ethyl-9,10-dioxoanthracene-1-sulfonamide has a molecular weight of 315.35 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-9,10-dioxoanthracene-1-sulfonamide is sourced from PubChem (CID 3256725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).