9,10-dioxo-N-(2-pyridin-2-ylethyl)anthracene-2-sulfonamide

C21H16N2O4S — CID 3694272

IUPAC9,10-dioxo-N-(2-pyridin-2-ylethyl)anthracene-2-sulfonamide
SMILESO=C1c2ccccc2C(=O)c2cc(S(=O)(=O)NCCc3ccccn3)ccc21
InChIInChI=1S/C21H16N2O4S/c24-20-16-6-1-2-7-17(16)21(25)19-13-15(8-9-18(19)20)28(26,27)23-12-10-14-5-3-4-11-22-14/h1-9,11,13,23H,10,12H2
InChIKeyAKJZWEDXMSTMHE-UHFFFAOYSA-N
MW392.44 g/mol
LogP2.38
Rot. Bonds5

About 9,10-dioxo-N-(2-pyridin-2-ylethyl)anthracene-2-sulfonamide

9,10-dioxo-N-(2-pyridin-2-ylethyl)anthracene-2-sulfonamide (PubChem CID 3694272) has the molecular formula C21H16N2O4S and a molecular weight of 392.44 g/mol. Its IUPAC name is 9,10-dioxo-N-(2-pyridin-2-ylethyl)anthracene-2-sulfonamide.

Molecular Properties

Compound Name9,10-dioxo-N-(2-pyridin-2-ylethyl)anthracene-2-sulfonamide
PubChem CID3694272
Molecular FormulaC21H16N2O4S
Molecular Weight392.44 g/mol
Exact Mass392.08
IUPAC Name9,10-dioxo-N-(2-pyridin-2-ylethyl)anthracene-2-sulfonamide
SMILESO=C1c2ccccc2C(=O)c2cc(S(=O)(=O)NCCc3ccccn3)ccc21
InChIInChI=1S/C21H16N2O4S/c24-20-16-6-1-2-7-17(16)21(25)19-13-15(8-9-18(19)20)28(26,27)23-12-10-14-5-3-4-11-22-14/h1-9,11,13,23H,10,12H2
InChIKeyAKJZWEDXMSTMHE-UHFFFAOYSA-N
XLogP2.38
TPSA93.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3,5-dichloro-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 3799880
3-(aminomethyl)-4-fluoro-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 63287946
3-nitro-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 172813710
4-propyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 3704165
4-chloro-3-nitro-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 4878966
5-oxo-N-(2-pyridin-2-ylethyl)-6,11-dihydroindeno[1,2-c]isoquinoline-9-sulfonamide
CID 67533560
2-amino-N-(2-pyridin-2-ylethyl)pyrimidine-5-sulfonamide
CID 62149419
3-(2-pyridin-2-ylethylsulfamoyl)benzenecarbothioamide
CID 29293837
5-chloro-6-oxo-N-(2-pyridin-2-ylethyl)-1H-pyridine-3-sulfonamide
CID 64609007
N-ethyl-9,10-dioxoanthracene-2-sulfonamide
CID 16832109
2-hydrazinyl-N-(2-pyridin-2-ylethyl)pyrimidine-5-sulfonamide
CID 61328516
N-decyl-9,10-dioxoanthracene-2-sulfonamide
CID 18592937

Frequently Asked Questions

What is the IUPAC name of 9,10-dioxo-N-(2-pyridin-2-ylethyl)anthracene-2-sulfonamide?
The IUPAC name of 9,10-dioxo-N-(2-pyridin-2-ylethyl)anthracene-2-sulfonamide (CID 3694272) is 9,10-dioxo-N-(2-pyridin-2-ylethyl)anthracene-2-sulfonamide.
What is the SMILES notation for 9,10-dioxo-N-(2-pyridin-2-ylethyl)anthracene-2-sulfonamide?
The canonical SMILES for 9,10-dioxo-N-(2-pyridin-2-ylethyl)anthracene-2-sulfonamide is O=C1c2ccccc2C(=O)c2cc(S(=O)(=O)NCCc3ccccn3)ccc21.
What is the InChIKey of 9,10-dioxo-N-(2-pyridin-2-ylethyl)anthracene-2-sulfonamide?
The InChIKey is AKJZWEDXMSTMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O4S/c24-20-16-6-1-2-7-17(16)21(25)19-13-15(8-9-18(19)20)28(26,27)23-12-10-14-5-3-4-11-22-14/h1-9,11,13,23H,10,12H2.
What are the key properties of 9,10-dioxo-N-(2-pyridin-2-ylethyl)anthracene-2-sulfonamide?
9,10-dioxo-N-(2-pyridin-2-ylethyl)anthracene-2-sulfonamide has a molecular weight of 392.44 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-dioxo-N-(2-pyridin-2-ylethyl)anthracene-2-sulfonamide is sourced from PubChem (CID 3694272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).