5-hydroxy-9,10-dioxoanthracene-1-sulfonamide

C14H9NO5S — CID 46911017

IUPAC5-hydroxy-9,10-dioxoanthracene-1-sulfonamide
SMILESNS(=O)(=O)c1cccc2c1C(=O)c1cccc(O)c1C2=O
InChIInChI=1S/C14H9NO5S/c15-21(19,20)10-6-2-4-8-12(10)14(18)7-3-1-5-9(16)11(7)13(8)17/h1-6,16H,(H2,15,19,20)
InChIKeyCQBHSRLUQDYPBU-UHFFFAOYSA-N
MW303.29 g/mol
LogP0.81
Rot. Bonds1

About 5-hydroxy-9,10-dioxoanthracene-1-sulfonamide

5-hydroxy-9,10-dioxoanthracene-1-sulfonamide (PubChem CID 46911017) has the molecular formula C14H9NO5S and a molecular weight of 303.29 g/mol. Its IUPAC name is 5-hydroxy-9,10-dioxoanthracene-1-sulfonamide.

Molecular Properties

Compound Name5-hydroxy-9,10-dioxoanthracene-1-sulfonamide
PubChem CID46911017
Molecular FormulaC14H9NO5S
Molecular Weight303.29 g/mol
Exact Mass303.02
IUPAC Name5-hydroxy-9,10-dioxoanthracene-1-sulfonamide
SMILESNS(=O)(=O)c1cccc2c1C(=O)c1cccc(O)c1C2=O
InChIInChI=1S/C14H9NO5S/c15-21(19,20)10-6-2-4-8-12(10)14(18)7-3-1-5-9(16)11(7)13(8)17/h1-6,16H,(H2,15,19,20)
InChIKeyCQBHSRLUQDYPBU-UHFFFAOYSA-N
XLogP0.81
TPSA114.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.29
LogP ≤ 50.81
H-Bond Donors ≤ 52
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 5-hydroxy-9,10-dioxoanthracene-1-sulfonamide?
The IUPAC name of 5-hydroxy-9,10-dioxoanthracene-1-sulfonamide (CID 46911017) is 5-hydroxy-9,10-dioxoanthracene-1-sulfonamide.
What is the SMILES notation for 5-hydroxy-9,10-dioxoanthracene-1-sulfonamide?
The canonical SMILES for 5-hydroxy-9,10-dioxoanthracene-1-sulfonamide is NS(=O)(=O)c1cccc2c1C(=O)c1cccc(O)c1C2=O.
What is the InChIKey of 5-hydroxy-9,10-dioxoanthracene-1-sulfonamide?
The InChIKey is CQBHSRLUQDYPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO5S/c15-21(19,20)10-6-2-4-8-12(10)14(18)7-3-1-5-9(16)11(7)13(8)17/h1-6,16H,(H2,15,19,20).
What are the key properties of 5-hydroxy-9,10-dioxoanthracene-1-sulfonamide?
5-hydroxy-9,10-dioxoanthracene-1-sulfonamide has a molecular weight of 303.29 g/mol, XLogP of 0.81, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-9,10-dioxoanthracene-1-sulfonamide is sourced from PubChem (CID 46911017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).