[1,4]benzoxathiino[3,2-b]pyridine 10,10-dioxide

C11H7NO3S — CID 5325441

IUPAC[1,4]benzoxathiino[3,2-b]pyridine 10,10-dioxide
SMILESO=S1(=O)c2ccccc2Oc2cccnc21
InChIInChI=1S/C11H7NO3S/c13-16(14)10-6-2-1-4-8(10)15-9-5-3-7-12-11(9)16/h1-7H
InChIKeyKNWJXSGFQHWFDU-UHFFFAOYSA-N
MW233.25 g/mol
LogP2.02
Rot. Bonds

About [1,4]benzoxathiino[3,2-b]pyridine 10,10-dioxide

[1,4]benzoxathiino[3,2-b]pyridine 10,10-dioxide (PubChem CID 5325441) has the molecular formula C11H7NO3S and a molecular weight of 233.25 g/mol. Its IUPAC name is [1,4]benzoxathiino[3,2-b]pyridine 10,10-dioxide.

Molecular Properties

Compound Name[1,4]benzoxathiino[3,2-b]pyridine 10,10-dioxide
PubChem CID5325441
Molecular FormulaC11H7NO3S
Molecular Weight233.25 g/mol
Exact Mass233.01
IUPAC Name[1,4]benzoxathiino[3,2-b]pyridine 10,10-dioxide
SMILESO=S1(=O)c2ccccc2Oc2cccnc21
InChIInChI=1S/C11H7NO3S/c13-16(14)10-6-2-1-4-8(10)15-9-5-3-7-12-11(9)16/h1-7H
InChIKeyKNWJXSGFQHWFDU-UHFFFAOYSA-N
XLogP2.02
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1,4]benzoxathiino[3,2-b]pyridine 10,10-dioxide?
The IUPAC name of [1,4]benzoxathiino[3,2-b]pyridine 10,10-dioxide (CID 5325441) is [1,4]benzoxathiino[3,2-b]pyridine 10,10-dioxide.
What is the SMILES notation for [1,4]benzoxathiino[3,2-b]pyridine 10,10-dioxide?
The canonical SMILES for [1,4]benzoxathiino[3,2-b]pyridine 10,10-dioxide is O=S1(=O)c2ccccc2Oc2cccnc21.
What is the InChIKey of [1,4]benzoxathiino[3,2-b]pyridine 10,10-dioxide?
The InChIKey is KNWJXSGFQHWFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7NO3S/c13-16(14)10-6-2-1-4-8(10)15-9-5-3-7-12-11(9)16/h1-7H.
What are the key properties of [1,4]benzoxathiino[3,2-b]pyridine 10,10-dioxide?
[1,4]benzoxathiino[3,2-b]pyridine 10,10-dioxide has a molecular weight of 233.25 g/mol, XLogP of 2.02, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1,4]benzoxathiino[3,2-b]pyridine 10,10-dioxide is sourced from PubChem (CID 5325441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).