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

C19H15NO2S — CID 86120283

IUPAC6-benzylbenzo[c][1,2]benzothiazine 5,5-dioxide
SMILESO=S1(=O)c2ccccc2-c2ccccc2N1Cc1ccccc1
InChIInChI=1S/C19H15NO2S/c21-23(22)19-13-7-5-11-17(19)16-10-4-6-12-18(16)20(23)14-15-8-2-1-3-9-15/h1-13H,14H2
InChIKeyRAZMVKUGTUWFOG-UHFFFAOYSA-N
MW321.40 g/mol
LogP4.06
Rot. Bonds2

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

6-benzylbenzo[c][1,2]benzothiazine 5,5-dioxide (PubChem CID 86120283) has the molecular formula C19H15NO2S and a molecular weight of 321.40 g/mol. Its IUPAC name is 6-benzylbenzo[c][1,2]benzothiazine 5,5-dioxide.

Molecular Properties

Compound Name6-benzylbenzo[c][1,2]benzothiazine 5,5-dioxide
PubChem CID86120283
Molecular FormulaC19H15NO2S
Molecular Weight321.40 g/mol
Exact Mass321.08
IUPAC Name6-benzylbenzo[c][1,2]benzothiazine 5,5-dioxide
SMILESO=S1(=O)c2ccccc2-c2ccccc2N1Cc1ccccc1
InChIInChI=1S/C19H15NO2S/c21-23(22)19-13-7-5-11-17(19)16-10-4-6-12-18(16)20(23)14-15-8-2-1-3-9-15/h1-13H,14H2
InChIKeyRAZMVKUGTUWFOG-UHFFFAOYSA-N
XLogP4.06
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-benzylbenzo[c][1,2]benzothiazine 5,5-dioxide?
The IUPAC name of 6-benzylbenzo[c][1,2]benzothiazine 5,5-dioxide (CID 86120283) is 6-benzylbenzo[c][1,2]benzothiazine 5,5-dioxide.
What is the SMILES notation for 6-benzylbenzo[c][1,2]benzothiazine 5,5-dioxide?
The canonical SMILES for 6-benzylbenzo[c][1,2]benzothiazine 5,5-dioxide is O=S1(=O)c2ccccc2-c2ccccc2N1Cc1ccccc1.
What is the InChIKey of 6-benzylbenzo[c][1,2]benzothiazine 5,5-dioxide?
The InChIKey is RAZMVKUGTUWFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO2S/c21-23(22)19-13-7-5-11-17(19)16-10-4-6-12-18(16)20(23)14-15-8-2-1-3-9-15/h1-13H,14H2.
What are the key properties of 6-benzylbenzo[c][1,2]benzothiazine 5,5-dioxide?
6-benzylbenzo[c][1,2]benzothiazine 5,5-dioxide has a molecular weight of 321.40 g/mol, XLogP of 4.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzylbenzo[c][1,2]benzothiazine 5,5-dioxide is sourced from PubChem (CID 86120283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).