7-bromo-6H-benzo[c][1,2]benzothiazine 5,5-dioxide

C12H8BrNO2S — CID 154118994

IUPAC7-bromo-6H-benzo[c][1,2]benzothiazine 5,5-dioxide
SMILESO=S1(=O)Nc2c(Br)cccc2-c2ccccc21
InChIInChI=1S/C12H8BrNO2S/c13-10-6-3-5-9-8-4-1-2-7-11(8)17(15,16)14-12(9)10/h1-7,14H
InChIKeyLFYVRGIRMPFMTK-UHFFFAOYSA-N
MW310.17 g/mol
LogP3.23
Rot. Bonds

About 7-bromo-6H-benzo[c][1,2]benzothiazine 5,5-dioxide

7-bromo-6H-benzo[c][1,2]benzothiazine 5,5-dioxide (PubChem CID 154118994) has the molecular formula C12H8BrNO2S and a molecular weight of 310.17 g/mol. Its IUPAC name is 7-bromo-6H-benzo[c][1,2]benzothiazine 5,5-dioxide.

Molecular Properties

Compound Name7-bromo-6H-benzo[c][1,2]benzothiazine 5,5-dioxide
PubChem CID154118994
Molecular FormulaC12H8BrNO2S
Molecular Weight310.17 g/mol
Exact Mass308.95
IUPAC Name7-bromo-6H-benzo[c][1,2]benzothiazine 5,5-dioxide
SMILESO=S1(=O)Nc2c(Br)cccc2-c2ccccc21
InChIInChI=1S/C12H8BrNO2S/c13-10-6-3-5-9-8-4-1-2-7-11(8)17(15,16)14-12(9)10/h1-7,14H
InChIKeyLFYVRGIRMPFMTK-UHFFFAOYSA-N
XLogP3.23
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.17
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-6H-benzo[c][1,2]benzothiazine 5,5-dioxide?
The IUPAC name of 7-bromo-6H-benzo[c][1,2]benzothiazine 5,5-dioxide (CID 154118994) is 7-bromo-6H-benzo[c][1,2]benzothiazine 5,5-dioxide.
What is the SMILES notation for 7-bromo-6H-benzo[c][1,2]benzothiazine 5,5-dioxide?
The canonical SMILES for 7-bromo-6H-benzo[c][1,2]benzothiazine 5,5-dioxide is O=S1(=O)Nc2c(Br)cccc2-c2ccccc21.
What is the InChIKey of 7-bromo-6H-benzo[c][1,2]benzothiazine 5,5-dioxide?
The InChIKey is LFYVRGIRMPFMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrNO2S/c13-10-6-3-5-9-8-4-1-2-7-11(8)17(15,16)14-12(9)10/h1-7,14H.
What are the key properties of 7-bromo-6H-benzo[c][1,2]benzothiazine 5,5-dioxide?
7-bromo-6H-benzo[c][1,2]benzothiazine 5,5-dioxide has a molecular weight of 310.17 g/mol, XLogP of 3.23, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-6H-benzo[c][1,2]benzothiazine 5,5-dioxide is sourced from PubChem (CID 154118994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).