2-morpholin-4-ylsulfonylanthracene-9,10-dione

C18H15NO5S — CID 2834892

IUPAC2-morpholin-4-ylsulfonylanthracene-9,10-dione
SMILESO=C1c2ccccc2C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc21
InChIInChI=1S/C18H15NO5S/c20-17-13-3-1-2-4-14(13)18(21)16-11-12(5-6-15(16)17)25(22,23)19-7-9-24-10-8-19/h1-6,11H,7-10H2
InChIKeySTAGCUSWXDRDCE-UHFFFAOYSA-N
MW357.39 g/mol
LogP1.48
Rot. Bonds2

About 2-morpholin-4-ylsulfonylanthracene-9,10-dione

2-morpholin-4-ylsulfonylanthracene-9,10-dione (PubChem CID 2834892) has the molecular formula C18H15NO5S and a molecular weight of 357.39 g/mol. Its IUPAC name is 2-morpholin-4-ylsulfonylanthracene-9,10-dione.

Molecular Properties

Compound Name2-morpholin-4-ylsulfonylanthracene-9,10-dione
PubChem CID2834892
Molecular FormulaC18H15NO5S
Molecular Weight357.39 g/mol
Exact Mass357.07
IUPAC Name2-morpholin-4-ylsulfonylanthracene-9,10-dione
SMILESO=C1c2ccccc2C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc21
InChIInChI=1S/C18H15NO5S/c20-17-13-3-1-2-4-14(13)18(21)16-11-12(5-6-15(16)17)25(22,23)19-7-9-24-10-8-19/h1-6,11H,7-10H2
InChIKeySTAGCUSWXDRDCE-UHFFFAOYSA-N
XLogP1.48
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 2-morpholin-4-ylsulfonylanthracene-9,10-dione?
The IUPAC name of 2-morpholin-4-ylsulfonylanthracene-9,10-dione (CID 2834892) is 2-morpholin-4-ylsulfonylanthracene-9,10-dione.
What is the SMILES notation for 2-morpholin-4-ylsulfonylanthracene-9,10-dione?
The canonical SMILES for 2-morpholin-4-ylsulfonylanthracene-9,10-dione is O=C1c2ccccc2C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc21.
What is the InChIKey of 2-morpholin-4-ylsulfonylanthracene-9,10-dione?
The InChIKey is STAGCUSWXDRDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO5S/c20-17-13-3-1-2-4-14(13)18(21)16-11-12(5-6-15(16)17)25(22,23)19-7-9-24-10-8-19/h1-6,11H,7-10H2.
What are the key properties of 2-morpholin-4-ylsulfonylanthracene-9,10-dione?
2-morpholin-4-ylsulfonylanthracene-9,10-dione has a molecular weight of 357.39 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ylsulfonylanthracene-9,10-dione is sourced from PubChem (CID 2834892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).