6-methylbenzo[c][1,2]benzothiazine 5,5-dioxide

C13H11NO2S — CID 640044

IUPAC6-methylbenzo[c][1,2]benzothiazine 5,5-dioxide
SMILESCN1c2ccccc2-c2ccccc2S1(=O)=O
InChIInChI=1S/C13H11NO2S/c1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)17(14,15)16/h2-9H,1H3
InChIKeySNZIZHFNRMQFOQ-UHFFFAOYSA-N
MW245.30 g/mol
LogP2.49
Rot. Bonds

About 6-methylbenzo[c][1,2]benzothiazine 5,5-dioxide

6-methylbenzo[c][1,2]benzothiazine 5,5-dioxide (PubChem CID 640044) has the molecular formula C13H11NO2S and a molecular weight of 245.30 g/mol. Its IUPAC name is 6-methylbenzo[c][1,2]benzothiazine 5,5-dioxide.

Molecular Properties

Compound Name6-methylbenzo[c][1,2]benzothiazine 5,5-dioxide
PubChem CID640044
Molecular FormulaC13H11NO2S
Molecular Weight245.30 g/mol
Exact Mass245.05
IUPAC Name6-methylbenzo[c][1,2]benzothiazine 5,5-dioxide
SMILESCN1c2ccccc2-c2ccccc2S1(=O)=O
InChIInChI=1S/C13H11NO2S/c1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)17(14,15)16/h2-9H,1H3
InChIKeySNZIZHFNRMQFOQ-UHFFFAOYSA-N
XLogP2.49
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methylbenzo[c][1,2]benzothiazine 5,5-dioxide?
The IUPAC name of 6-methylbenzo[c][1,2]benzothiazine 5,5-dioxide (CID 640044) is 6-methylbenzo[c][1,2]benzothiazine 5,5-dioxide.
What is the SMILES notation for 6-methylbenzo[c][1,2]benzothiazine 5,5-dioxide?
The canonical SMILES for 6-methylbenzo[c][1,2]benzothiazine 5,5-dioxide is CN1c2ccccc2-c2ccccc2S1(=O)=O.
What is the InChIKey of 6-methylbenzo[c][1,2]benzothiazine 5,5-dioxide?
The InChIKey is SNZIZHFNRMQFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO2S/c1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)17(14,15)16/h2-9H,1H3.
What are the key properties of 6-methylbenzo[c][1,2]benzothiazine 5,5-dioxide?
6-methylbenzo[c][1,2]benzothiazine 5,5-dioxide has a molecular weight of 245.30 g/mol, XLogP of 2.49, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylbenzo[c][1,2]benzothiazine 5,5-dioxide is sourced from PubChem (CID 640044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).