6-(4-phenylphenyl)oxathiino[6,5-b]pyridine 2,2-dioxide

C19H13NO3S — CID 162655206

IUPAC6-(4-phenylphenyl)oxathiino[6,5-b]pyridine 2,2-dioxide
SMILESO=S1(=O)C=Cc2cc(-c3ccc(-c4ccccc4)cc3)cnc2O1
InChIInChI=1S/C19H13NO3S/c21-24(22)11-10-17-12-18(13-20-19(17)23-24)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-13H
InChIKeyLFZQBBUJHMMDHR-UHFFFAOYSA-N
MW335.38 g/mol
LogP4.11
Rot. Bonds2

About 6-(4-phenylphenyl)oxathiino[6,5-b]pyridine 2,2-dioxide

6-(4-phenylphenyl)oxathiino[6,5-b]pyridine 2,2-dioxide (PubChem CID 162655206) has the molecular formula C19H13NO3S and a molecular weight of 335.38 g/mol. Its IUPAC name is 6-(4-phenylphenyl)oxathiino[6,5-b]pyridine 2,2-dioxide.

Molecular Properties

Compound Name6-(4-phenylphenyl)oxathiino[6,5-b]pyridine 2,2-dioxide
PubChem CID162655206
Molecular FormulaC19H13NO3S
Molecular Weight335.38 g/mol
Exact Mass335.06
IUPAC Name6-(4-phenylphenyl)oxathiino[6,5-b]pyridine 2,2-dioxide
SMILESO=S1(=O)C=Cc2cc(-c3ccc(-c4ccccc4)cc3)cnc2O1
InChIInChI=1S/C19H13NO3S/c21-24(22)11-10-17-12-18(13-20-19(17)23-24)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-13H
InChIKeyLFZQBBUJHMMDHR-UHFFFAOYSA-N
XLogP4.11
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 54.11
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-(4-phenylphenyl)oxathiino[6,5-b]pyridine 2,2-dioxide?
The IUPAC name of 6-(4-phenylphenyl)oxathiino[6,5-b]pyridine 2,2-dioxide (CID 162655206) is 6-(4-phenylphenyl)oxathiino[6,5-b]pyridine 2,2-dioxide.
What is the SMILES notation for 6-(4-phenylphenyl)oxathiino[6,5-b]pyridine 2,2-dioxide?
The canonical SMILES for 6-(4-phenylphenyl)oxathiino[6,5-b]pyridine 2,2-dioxide is O=S1(=O)C=Cc2cc(-c3ccc(-c4ccccc4)cc3)cnc2O1.
What is the InChIKey of 6-(4-phenylphenyl)oxathiino[6,5-b]pyridine 2,2-dioxide?
The InChIKey is LFZQBBUJHMMDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13NO3S/c21-24(22)11-10-17-12-18(13-20-19(17)23-24)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-13H.
What are the key properties of 6-(4-phenylphenyl)oxathiino[6,5-b]pyridine 2,2-dioxide?
6-(4-phenylphenyl)oxathiino[6,5-b]pyridine 2,2-dioxide has a molecular weight of 335.38 g/mol, XLogP of 4.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-phenylphenyl)oxathiino[6,5-b]pyridine 2,2-dioxide is sourced from PubChem (CID 162655206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).