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

C7H4FNO3S — CID 71746515

IUPAC6-fluoro-1,2λ6,3-benzoxathiazine 2,2-dioxide
SMILESO=S1(=O)N=Cc2cc(F)ccc2O1
InChIInChI=1S/C7H4FNO3S/c8-6-1-2-7-5(3-6)4-9-13(10,11)12-7/h1-4H
InChIKeyWQVBCXDOUNURFR-UHFFFAOYSA-N
MW201.18 g/mol
LogP0.88
Rot. Bonds

About 6-fluoro-1,2λ6,3-benzoxathiazine 2,2-dioxide

6-fluoro-1,2λ6,3-benzoxathiazine 2,2-dioxide (PubChem CID 71746515) has the molecular formula C7H4FNO3S and a molecular weight of 201.18 g/mol. Its IUPAC name is 6-fluoro-1,2λ6,3-benzoxathiazine 2,2-dioxide.

Molecular Properties

Compound Name6-fluoro-1,2λ6,3-benzoxathiazine 2,2-dioxide
PubChem CID71746515
Molecular FormulaC7H4FNO3S
Molecular Weight201.18 g/mol
Exact Mass200.99
IUPAC Name6-fluoro-1,2λ6,3-benzoxathiazine 2,2-dioxide
SMILESO=S1(=O)N=Cc2cc(F)ccc2O1
InChIInChI=1S/C7H4FNO3S/c8-6-1-2-7-5(3-6)4-9-13(10,11)12-7/h1-4H
InChIKeyWQVBCXDOUNURFR-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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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1,2λ6,3-benzoxathiazine 2,2-dioxide?
The IUPAC name of 6-fluoro-1,2λ6,3-benzoxathiazine 2,2-dioxide (CID 71746515) is 6-fluoro-1,2λ6,3-benzoxathiazine 2,2-dioxide.
What is the SMILES notation for 6-fluoro-1,2λ6,3-benzoxathiazine 2,2-dioxide?
The canonical SMILES for 6-fluoro-1,2λ6,3-benzoxathiazine 2,2-dioxide is O=S1(=O)N=Cc2cc(F)ccc2O1.
What is the InChIKey of 6-fluoro-1,2λ6,3-benzoxathiazine 2,2-dioxide?
The InChIKey is WQVBCXDOUNURFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4FNO3S/c8-6-1-2-7-5(3-6)4-9-13(10,11)12-7/h1-4H.
What are the key properties of 6-fluoro-1,2λ6,3-benzoxathiazine 2,2-dioxide?
6-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 6-fluoro-1,2λ6,3-benzoxathiazine 2,2-dioxide is sourced from PubChem (CID 71746515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).