8-fluoro-1,2λ6,3-benzoxathiazine 2,2-dioxide

C7H4FNO3S — CID 155526095

IUPAC8-fluoro-1,2λ6,3-benzoxathiazine 2,2-dioxide
SMILESO=S1(=O)N=Cc2cccc(F)c2O1
InChIInChI=1S/C7H4FNO3S/c8-6-3-1-2-5-4-9-13(10,11)12-7(5)6/h1-4H
InChIKeyUDNPFOIVCZVQLG-UHFFFAOYSA-N
MW201.18 g/mol
LogP0.88
Rot. Bonds

About 8-fluoro-1,2λ6,3-benzoxathiazine 2,2-dioxide

8-fluoro-1,2λ6,3-benzoxathiazine 2,2-dioxide (PubChem CID 155526095) has the molecular formula C7H4FNO3S and a molecular weight of 201.18 g/mol. Its IUPAC name is 8-fluoro-1,2λ6,3-benzoxathiazine 2,2-dioxide.

Molecular Properties

Compound Name8-fluoro-1,2λ6,3-benzoxathiazine 2,2-dioxide
PubChem CID155526095
Molecular FormulaC7H4FNO3S
Molecular Weight201.18 g/mol
Exact Mass200.99
IUPAC Name8-fluoro-1,2λ6,3-benzoxathiazine 2,2-dioxide
SMILESO=S1(=O)N=Cc2cccc(F)c2O1
InChIInChI=1S/C7H4FNO3S/c8-6-3-1-2-5-4-9-13(10,11)12-7(5)6/h1-4H
InChIKeyUDNPFOIVCZVQLG-UHFFFAOYSA-N
XLogP0.88
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.18
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8-fluoro-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

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-1,2λ6,3-benzoxathiazine 2,2-dioxide?
The IUPAC name of 8-fluoro-1,2λ6,3-benzoxathiazine 2,2-dioxide (CID 155526095) is 8-fluoro-1,2λ6,3-benzoxathiazine 2,2-dioxide.
What is the SMILES notation for 8-fluoro-1,2λ6,3-benzoxathiazine 2,2-dioxide?
The canonical SMILES for 8-fluoro-1,2λ6,3-benzoxathiazine 2,2-dioxide is O=S1(=O)N=Cc2cccc(F)c2O1.
What is the InChIKey of 8-fluoro-1,2λ6,3-benzoxathiazine 2,2-dioxide?
The InChIKey is UDNPFOIVCZVQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4FNO3S/c8-6-3-1-2-5-4-9-13(10,11)12-7(5)6/h1-4H.
What are the key properties of 8-fluoro-1,2λ6,3-benzoxathiazine 2,2-dioxide?
8-fluoro-1,2λ6,3-benzoxathiazine 2,2-dioxide has a molecular weight of 201.18 g/mol, XLogP of 0.88, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-1,2λ6,3-benzoxathiazine 2,2-dioxide is sourced from PubChem (CID 155526095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).