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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Related Compounds

3-benzyl-2lambda6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene 2,2-dioxide
CID 901103
3-[(4-phenylphenyl)methyl]-2lambda6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene 2,2-dioxide
CID 7778656
2-benzyl-4-[(4-tert-butylphenyl)methyl]-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one
CID 46507449
3-benzyl-9-methyl-2λ6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaene 2,2-dioxide
CID 10828688
1-benzyl-2,2-dioxo-3-propan-2-yl-2lambda6,1,3-benzothiadiazin-4-one
CID 2825491
(4R)-2-amino-6-benzyl-5,5-dioxo-4-phenyl-4H-pyrano[3,2-c][2,1]benzothiazine-3-carbonitrile
CID 92690241
4-[(2,2-dioxo-2λ6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-yl)methyl]-N-phenylbenzamide
CID 7778561
2-(5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 28591723
N-cyclopropyl-2-(5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)acetamide
CID 28591725
2-[(3-fluorophenyl)methyl]-1,1-dioxo-1,2-benzothiazol-3-one
CID 2952737
2-benzyl-3-[[4-(dimethylamino)phenyl]methylidene]-1,1-dioxo-1λ6,2-benzothiazin-4-one
CID 71830005
methyl 2-(2-benzyl-1,1,3-trioxo-1λ6,2,4-benzothiadiazin-4-yl)acetate
CID 95921840

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).