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

C7H4FNO3S — CID 155533851

IUPAC7-fluoro-1,2λ6,3-benzoxathiazine 2,2-dioxide
SMILESO=S1(=O)N=Cc2ccc(F)cc2O1
InChIInChI=1S/C7H4FNO3S/c8-6-2-1-5-4-9-13(10,11)12-7(5)3-6/h1-4H
InChIKeyCBTAITMXNAWLLA-UHFFFAOYSA-N
MW201.18 g/mol
LogP0.88
Rot. Bonds

About 7-fluoro-1,2λ6,3-benzoxathiazine 2,2-dioxide

7-fluoro-1,2λ6,3-benzoxathiazine 2,2-dioxide (PubChem CID 155533851) has the molecular formula C7H4FNO3S and a molecular weight of 201.18 g/mol. Its IUPAC name is 7-fluoro-1,2λ6,3-benzoxathiazine 2,2-dioxide.

Molecular Properties

Compound Name7-fluoro-1,2λ6,3-benzoxathiazine 2,2-dioxide
PubChem CID155533851
Molecular FormulaC7H4FNO3S
Molecular Weight201.18 g/mol
Exact Mass200.99
IUPAC Name7-fluoro-1,2λ6,3-benzoxathiazine 2,2-dioxide
SMILESO=S1(=O)N=Cc2ccc(F)cc2O1
InChIInChI=1S/C7H4FNO3S/c8-6-2-1-5-4-9-13(10,11)12-7(5)3-6/h1-4H
InChIKeyCBTAITMXNAWLLA-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

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Related Compounds

2H-1,2lambda~6~,3-Benzoxathiazine-2,2-dione
CID 12712805
6-Bromobenzo[e][1,2,3]oxathiazine 2,2-dioxide
CID 85557924
1,2,3-Benzoxathiazine, 6-chloro-, 2,2-dioxide
CID 12712806
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-Fluoro-1,2lambda6,3-benzoxathiazine 2,2-dioxide
CID 155526095
5-Fluoro-1,2lambda6,3-benzoxathiazine 2,2-dioxide
CID 155540362
8-Fluoro-6-[(2-fluoro-4-methylphenyl)methyl]-1,2lambda6,3-benzoxathiazine 2,2-dioxide
CID 178417998
(E)-1-phenyl-N-[2-(trifluoromethyl)phenoxy]methanimine
CID 11242541
(E)-1-(3,5-difluorophenyl)-N-[2-(trifluoromethyl)phenoxy]methanimine
CID 11449464
8-Tert-butyl-1,2lambda6,3-benzoxathiazine 2,2-dioxide
CID 125495870

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1,2λ6,3-benzoxathiazine 2,2-dioxide?
The IUPAC name of 7-fluoro-1,2λ6,3-benzoxathiazine 2,2-dioxide (CID 155533851) is 7-fluoro-1,2λ6,3-benzoxathiazine 2,2-dioxide.
What is the SMILES notation for 7-fluoro-1,2λ6,3-benzoxathiazine 2,2-dioxide?
The canonical SMILES for 7-fluoro-1,2λ6,3-benzoxathiazine 2,2-dioxide is O=S1(=O)N=Cc2ccc(F)cc2O1.
What is the InChIKey of 7-fluoro-1,2λ6,3-benzoxathiazine 2,2-dioxide?
The InChIKey is CBTAITMXNAWLLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4FNO3S/c8-6-2-1-5-4-9-13(10,11)12-7(5)3-6/h1-4H.
What are the key properties of 7-fluoro-1,2λ6,3-benzoxathiazine 2,2-dioxide?
7-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 7-fluoro-1,2λ6,3-benzoxathiazine 2,2-dioxide is sourced from PubChem (CID 155533851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).