1,2λ6,3-benzoxathiazine 2,2-dioxide

C7H5NO3S — CID 12712805

IUPAC1,2λ6,3-benzoxathiazine 2,2-dioxide
SMILESO=S1(=O)N=Cc2ccccc2O1
InChIInChI=1S/C7H5NO3S/c9-12(10)8-5-6-3-1-2-4-7(6)11-12/h1-5H
InChIKeyFURVSEVWPXHUEK-UHFFFAOYSA-N
MW183.19 g/mol
LogP0.74
Rot. Bonds

About 1,2λ6,3-benzoxathiazine 2,2-dioxide

1,2λ6,3-benzoxathiazine 2,2-dioxide (PubChem CID 12712805) has the molecular formula C7H5NO3S and a molecular weight of 183.19 g/mol. Its IUPAC name is 1,2λ6,3-benzoxathiazine 2,2-dioxide.

Molecular Properties

Compound Name1,2λ6,3-benzoxathiazine 2,2-dioxide
PubChem CID12712805
Molecular FormulaC7H5NO3S
Molecular Weight183.19 g/mol
Exact Mass183.00
IUPAC Name1,2λ6,3-benzoxathiazine 2,2-dioxide
SMILESO=S1(=O)N=Cc2ccccc2O1
InChIInChI=1S/C7H5NO3S/c9-12(10)8-5-6-3-1-2-4-7(6)11-12/h1-5H
InChIKeyFURVSEVWPXHUEK-UHFFFAOYSA-N
XLogP0.74
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.19
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1,2λ6,3-benzoxathiazine 2,2-dioxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Salicylaldoxime
CID 135408751
6-Bromobenzo[e][1,2,3]oxathiazine 2,2-dioxide
CID 85557924
Salicylaldehyde oxime
CID 7200
1,2,3-Benzoxathiazine, 6-chloro-, 2,2-dioxide
CID 12712806
Copper, ((2,2'-(1,2-ethanediylbis((nitrilo-kappaN)methylidyne))bis(phenolato-kappaO))(2-))-, (SP-4-2)-
CID 12544621
1,2,3-Benzoxathiazine, 6-methyl-, 2,2-dioxide
CID 132511405
7-Methyl-1,2lambda6,3-benzoxathiazine 2,2-dioxide
CID 155543665
7-Chlorobenzo[e][1,2,3]oxathiazine 2,2-dioxide
CID 139262608
8-Chloro-1,2lambda6,3-benzoxathiazine 2,2-dioxide
CID 139262609
8-Fluoro-1,2lambda6,3-benzoxathiazine 2,2-dioxide
CID 155526095
7-Fluoro-1,2lambda6,3-benzoxathiazine 2,2-dioxide
CID 155533851
5-Fluoro-1,2lambda6,3-benzoxathiazine 2,2-dioxide
CID 155540362

Frequently Asked Questions

What is the IUPAC name of 1,2λ6,3-benzoxathiazine 2,2-dioxide?
The IUPAC name of 1,2λ6,3-benzoxathiazine 2,2-dioxide (CID 12712805) is 1,2λ6,3-benzoxathiazine 2,2-dioxide.
What is the SMILES notation for 1,2λ6,3-benzoxathiazine 2,2-dioxide?
The canonical SMILES for 1,2λ6,3-benzoxathiazine 2,2-dioxide is O=S1(=O)N=Cc2ccccc2O1.
What is the InChIKey of 1,2λ6,3-benzoxathiazine 2,2-dioxide?
The InChIKey is FURVSEVWPXHUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NO3S/c9-12(10)8-5-6-3-1-2-4-7(6)11-12/h1-5H.
What are the key properties of 1,2λ6,3-benzoxathiazine 2,2-dioxide?
1,2λ6,3-benzoxathiazine 2,2-dioxide has a molecular weight of 183.19 g/mol, XLogP of 0.74, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2λ6,3-benzoxathiazine 2,2-dioxide is sourced from PubChem (CID 12712805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).