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

C13H10FNO2S — CID 132534199

IUPAC8-fluoro-6-methylbenzo[c][1,2]benzothiazine 5,5-dioxide
SMILESCN1c2cc(F)ccc2-c2ccccc2S1(=O)=O
InChIInChI=1S/C13H10FNO2S/c1-15-12-8-9(14)6-7-10(12)11-4-2-3-5-13(11)18(15,16)17/h2-8H,1H3
InChIKeyNQMQCIFDBPAYPR-UHFFFAOYSA-N
MW263.29 g/mol
LogP2.63
Rot. Bonds

About 8-fluoro-6-methylbenzo[c][1,2]benzothiazine 5,5-dioxide

8-fluoro-6-methylbenzo[c][1,2]benzothiazine 5,5-dioxide (PubChem CID 132534199) has the molecular formula C13H10FNO2S and a molecular weight of 263.29 g/mol. Its IUPAC name is 8-fluoro-6-methylbenzo[c][1,2]benzothiazine 5,5-dioxide.

Molecular Properties

Compound Name8-fluoro-6-methylbenzo[c][1,2]benzothiazine 5,5-dioxide
PubChem CID132534199
Molecular FormulaC13H10FNO2S
Molecular Weight263.29 g/mol
Exact Mass263.04
IUPAC Name8-fluoro-6-methylbenzo[c][1,2]benzothiazine 5,5-dioxide
SMILESCN1c2cc(F)ccc2-c2ccccc2S1(=O)=O
InChIInChI=1S/C13H10FNO2S/c1-15-12-8-9(14)6-7-10(12)11-4-2-3-5-13(11)18(15,16)17/h2-8H,1H3
InChIKeyNQMQCIFDBPAYPR-UHFFFAOYSA-N
XLogP2.63
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-6-methylbenzo[c][1,2]benzothiazine 5,5-dioxide?
The IUPAC name of 8-fluoro-6-methylbenzo[c][1,2]benzothiazine 5,5-dioxide (CID 132534199) is 8-fluoro-6-methylbenzo[c][1,2]benzothiazine 5,5-dioxide.
What is the SMILES notation for 8-fluoro-6-methylbenzo[c][1,2]benzothiazine 5,5-dioxide?
The canonical SMILES for 8-fluoro-6-methylbenzo[c][1,2]benzothiazine 5,5-dioxide is CN1c2cc(F)ccc2-c2ccccc2S1(=O)=O.
What is the InChIKey of 8-fluoro-6-methylbenzo[c][1,2]benzothiazine 5,5-dioxide?
The InChIKey is NQMQCIFDBPAYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO2S/c1-15-12-8-9(14)6-7-10(12)11-4-2-3-5-13(11)18(15,16)17/h2-8H,1H3.
What are the key properties of 8-fluoro-6-methylbenzo[c][1,2]benzothiazine 5,5-dioxide?
8-fluoro-6-methylbenzo[c][1,2]benzothiazine 5,5-dioxide has a molecular weight of 263.29 g/mol, XLogP of 2.63, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-6-methylbenzo[c][1,2]benzothiazine 5,5-dioxide is sourced from PubChem (CID 132534199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).