6-naphthalen-1-yloxathiino[6,5-b]pyridine 2,2-dioxide

C17H11NO3S — CID 162670669

IUPAC6-naphthalen-1-yloxathiino[6,5-b]pyridine 2,2-dioxide
SMILESO=S1(=O)C=Cc2cc(-c3cccc4ccccc34)cnc2O1
InChIInChI=1S/C17H11NO3S/c19-22(20)9-8-13-10-14(11-18-17(13)21-22)16-7-3-5-12-4-1-2-6-15(12)16/h1-11H
InChIKeyURMOBYCGCJWSHI-UHFFFAOYSA-N
MW309.35 g/mol
LogP3.59
Rot. Bonds1

About 6-naphthalen-1-yloxathiino[6,5-b]pyridine 2,2-dioxide

6-naphthalen-1-yloxathiino[6,5-b]pyridine 2,2-dioxide (PubChem CID 162670669) has the molecular formula C17H11NO3S and a molecular weight of 309.35 g/mol. Its IUPAC name is 6-naphthalen-1-yloxathiino[6,5-b]pyridine 2,2-dioxide.

Molecular Properties

Compound Name6-naphthalen-1-yloxathiino[6,5-b]pyridine 2,2-dioxide
PubChem CID162670669
Molecular FormulaC17H11NO3S
Molecular Weight309.35 g/mol
Exact Mass309.05
IUPAC Name6-naphthalen-1-yloxathiino[6,5-b]pyridine 2,2-dioxide
SMILESO=S1(=O)C=Cc2cc(-c3cccc4ccccc34)cnc2O1
InChIInChI=1S/C17H11NO3S/c19-22(20)9-8-13-10-14(11-18-17(13)21-22)16-7-3-5-12-4-1-2-6-15(12)16/h1-11H
InChIKeyURMOBYCGCJWSHI-UHFFFAOYSA-N
XLogP3.59
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-naphthalen-1-yloxathiino[6,5-b]pyridine 2,2-dioxide?
The IUPAC name of 6-naphthalen-1-yloxathiino[6,5-b]pyridine 2,2-dioxide (CID 162670669) is 6-naphthalen-1-yloxathiino[6,5-b]pyridine 2,2-dioxide.
What is the SMILES notation for 6-naphthalen-1-yloxathiino[6,5-b]pyridine 2,2-dioxide?
The canonical SMILES for 6-naphthalen-1-yloxathiino[6,5-b]pyridine 2,2-dioxide is O=S1(=O)C=Cc2cc(-c3cccc4ccccc34)cnc2O1.
What is the InChIKey of 6-naphthalen-1-yloxathiino[6,5-b]pyridine 2,2-dioxide?
The InChIKey is URMOBYCGCJWSHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11NO3S/c19-22(20)9-8-13-10-14(11-18-17(13)21-22)16-7-3-5-12-4-1-2-6-15(12)16/h1-11H.
What are the key properties of 6-naphthalen-1-yloxathiino[6,5-b]pyridine 2,2-dioxide?
6-naphthalen-1-yloxathiino[6,5-b]pyridine 2,2-dioxide has a molecular weight of 309.35 g/mol, XLogP of 3.59, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-naphthalen-1-yloxathiino[6,5-b]pyridine 2,2-dioxide is sourced from PubChem (CID 162670669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).