8-methoxy-6H-benzo[c][1,2]benzothiazine 5,5-dioxide

C13H11NO3S — CID 54131272

IUPAC8-methoxy-6H-benzo[c][1,2]benzothiazine 5,5-dioxide
SMILESCOc1ccc2c(c1)NS(=O)(=O)c1ccccc1-2
InChIInChI=1S/C13H11NO3S/c1-17-9-6-7-10-11-4-2-3-5-13(11)18(15,16)14-12(10)8-9/h2-8,14H,1H3
InChIKeyNUNWMUWKOLDXAU-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.48
Rot. Bonds1

About 8-methoxy-6H-benzo[c][1,2]benzothiazine 5,5-dioxide

8-methoxy-6H-benzo[c][1,2]benzothiazine 5,5-dioxide (PubChem CID 54131272) has the molecular formula C13H11NO3S and a molecular weight of 261.30 g/mol. Its IUPAC name is 8-methoxy-6H-benzo[c][1,2]benzothiazine 5,5-dioxide.

Molecular Properties

Compound Name8-methoxy-6H-benzo[c][1,2]benzothiazine 5,5-dioxide
PubChem CID54131272
Molecular FormulaC13H11NO3S
Molecular Weight261.30 g/mol
Exact Mass261.05
IUPAC Name8-methoxy-6H-benzo[c][1,2]benzothiazine 5,5-dioxide
SMILESCOc1ccc2c(c1)NS(=O)(=O)c1ccccc1-2
InChIInChI=1S/C13H11NO3S/c1-17-9-6-7-10-11-4-2-3-5-13(11)18(15,16)14-12(10)8-9/h2-8,14H,1H3
InChIKeyNUNWMUWKOLDXAU-UHFFFAOYSA-N
XLogP2.48
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-6H-benzo[c][1,2]benzothiazine 5,5-dioxide?
The IUPAC name of 8-methoxy-6H-benzo[c][1,2]benzothiazine 5,5-dioxide (CID 54131272) is 8-methoxy-6H-benzo[c][1,2]benzothiazine 5,5-dioxide.
What is the SMILES notation for 8-methoxy-6H-benzo[c][1,2]benzothiazine 5,5-dioxide?
The canonical SMILES for 8-methoxy-6H-benzo[c][1,2]benzothiazine 5,5-dioxide is COc1ccc2c(c1)NS(=O)(=O)c1ccccc1-2.
What is the InChIKey of 8-methoxy-6H-benzo[c][1,2]benzothiazine 5,5-dioxide?
The InChIKey is NUNWMUWKOLDXAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO3S/c1-17-9-6-7-10-11-4-2-3-5-13(11)18(15,16)14-12(10)8-9/h2-8,14H,1H3.
What are the key properties of 8-methoxy-6H-benzo[c][1,2]benzothiazine 5,5-dioxide?
8-methoxy-6H-benzo[c][1,2]benzothiazine 5,5-dioxide has a molecular weight of 261.30 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-6H-benzo[c][1,2]benzothiazine 5,5-dioxide is sourced from PubChem (CID 54131272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).