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

C13H9BrFNO2S — CID 177445095

IUPAC9-bromo-2-fluoro-6-methylbenzo[c][1,2]benzothiazine 5,5-dioxide
SMILESCN1c2ccc(Br)cc2-c2cc(F)ccc2S1(=O)=O
InChIInChI=1S/C13H9BrFNO2S/c1-16-12-4-2-8(14)6-10(12)11-7-9(15)3-5-13(11)19(16,17)18/h2-7H,1H3
InChIKeyFCLCQNZHGIIVHA-UHFFFAOYSA-N
MW342.19 g/mol
LogP3.39
Rot. Bonds

About 9-bromo-2-fluoro-6-methylbenzo[c][1,2]benzothiazine 5,5-dioxide

9-bromo-2-fluoro-6-methylbenzo[c][1,2]benzothiazine 5,5-dioxide (PubChem CID 177445095) has the molecular formula C13H9BrFNO2S and a molecular weight of 342.19 g/mol. Its IUPAC name is 9-bromo-2-fluoro-6-methylbenzo[c][1,2]benzothiazine 5,5-dioxide.

Molecular Properties

Compound Name9-bromo-2-fluoro-6-methylbenzo[c][1,2]benzothiazine 5,5-dioxide
PubChem CID177445095
Molecular FormulaC13H9BrFNO2S
Molecular Weight342.19 g/mol
Exact Mass340.95
IUPAC Name9-bromo-2-fluoro-6-methylbenzo[c][1,2]benzothiazine 5,5-dioxide
SMILESCN1c2ccc(Br)cc2-c2cc(F)ccc2S1(=O)=O
InChIInChI=1S/C13H9BrFNO2S/c1-16-12-4-2-8(14)6-10(12)11-7-9(15)3-5-13(11)19(16,17)18/h2-7H,1H3
InChIKeyFCLCQNZHGIIVHA-UHFFFAOYSA-N
XLogP3.39
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.19
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-bromo-2-fluoro-6-methylbenzo[c][1,2]benzothiazine 5,5-dioxide?
The IUPAC name of 9-bromo-2-fluoro-6-methylbenzo[c][1,2]benzothiazine 5,5-dioxide (CID 177445095) is 9-bromo-2-fluoro-6-methylbenzo[c][1,2]benzothiazine 5,5-dioxide.
What is the SMILES notation for 9-bromo-2-fluoro-6-methylbenzo[c][1,2]benzothiazine 5,5-dioxide?
The canonical SMILES for 9-bromo-2-fluoro-6-methylbenzo[c][1,2]benzothiazine 5,5-dioxide is CN1c2ccc(Br)cc2-c2cc(F)ccc2S1(=O)=O.
What is the InChIKey of 9-bromo-2-fluoro-6-methylbenzo[c][1,2]benzothiazine 5,5-dioxide?
The InChIKey is FCLCQNZHGIIVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrFNO2S/c1-16-12-4-2-8(14)6-10(12)11-7-9(15)3-5-13(11)19(16,17)18/h2-7H,1H3.
What are the key properties of 9-bromo-2-fluoro-6-methylbenzo[c][1,2]benzothiazine 5,5-dioxide?
9-bromo-2-fluoro-6-methylbenzo[c][1,2]benzothiazine 5,5-dioxide has a molecular weight of 342.19 g/mol, XLogP of 3.39, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-2-fluoro-6-methylbenzo[c][1,2]benzothiazine 5,5-dioxide is sourced from PubChem (CID 177445095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).