5-fluoro-2,2-dioxo-1H-2λ6,3-benzothiazin-4-amine

C8H7FN2O2S — CID 58429388

IUPAC5-fluoro-2,2-dioxo-1H-2λ6,3-benzothiazin-4-amine
SMILESNC1=NS(=O)(=O)Cc2cccc(F)c21
InChIInChI=1S/C8H7FN2O2S/c9-6-3-1-2-5-4-14(12,13)11-8(10)7(5)6/h1-3H,4H2,(H2,10,11)
InChIKeyZJMDKCKWBUEOAB-UHFFFAOYSA-N
MW214.22 g/mol
LogP0.37
Rot. Bonds

About 5-fluoro-2,2-dioxo-1H-2λ6,3-benzothiazin-4-amine

5-fluoro-2,2-dioxo-1H-2λ6,3-benzothiazin-4-amine (PubChem CID 58429388) has the molecular formula C8H7FN2O2S and a molecular weight of 214.22 g/mol. Its IUPAC name is 5-fluoro-2,2-dioxo-1H-2λ6,3-benzothiazin-4-amine.

Molecular Properties

Compound Name5-fluoro-2,2-dioxo-1H-2λ6,3-benzothiazin-4-amine
PubChem CID58429388
Molecular FormulaC8H7FN2O2S
Molecular Weight214.22 g/mol
Exact Mass214.02
IUPAC Name5-fluoro-2,2-dioxo-1H-2λ6,3-benzothiazin-4-amine
SMILESNC1=NS(=O)(=O)Cc2cccc(F)c21
InChIInChI=1S/C8H7FN2O2S/c9-6-3-1-2-5-4-14(12,13)11-8(10)7(5)6/h1-3H,4H2,(H2,10,11)
InChIKeyZJMDKCKWBUEOAB-UHFFFAOYSA-N
XLogP0.37
TPSA72.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2,2-dioxo-1H-2λ6,3-benzothiazin-4-amine?
The IUPAC name of 5-fluoro-2,2-dioxo-1H-2λ6,3-benzothiazin-4-amine (CID 58429388) is 5-fluoro-2,2-dioxo-1H-2λ6,3-benzothiazin-4-amine.
What is the SMILES notation for 5-fluoro-2,2-dioxo-1H-2λ6,3-benzothiazin-4-amine?
The canonical SMILES for 5-fluoro-2,2-dioxo-1H-2λ6,3-benzothiazin-4-amine is NC1=NS(=O)(=O)Cc2cccc(F)c21.
What is the InChIKey of 5-fluoro-2,2-dioxo-1H-2λ6,3-benzothiazin-4-amine?
The InChIKey is ZJMDKCKWBUEOAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN2O2S/c9-6-3-1-2-5-4-14(12,13)11-8(10)7(5)6/h1-3H,4H2,(H2,10,11).
What are the key properties of 5-fluoro-2,2-dioxo-1H-2λ6,3-benzothiazin-4-amine?
5-fluoro-2,2-dioxo-1H-2λ6,3-benzothiazin-4-amine has a molecular weight of 214.22 g/mol, XLogP of 0.37, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2,2-dioxo-1H-2λ6,3-benzothiazin-4-amine is sourced from PubChem (CID 58429388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).