7-fluoro-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one

C7H5FN2O3S — CID 11096006

IUPAC7-fluoro-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one
SMILESO=C1Nc2ccc(F)cc2S(=O)(=O)N1
InChIInChI=1S/C7H5FN2O3S/c8-4-1-2-5-6(3-4)14(12,13)10-7(11)9-5/h1-3H,(H2,9,10,11)
InChIKeyITUAGWGFDMMEMY-UHFFFAOYSA-N
MW216.19 g/mol
LogP0.65
Rot. Bonds

About 7-fluoro-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one

7-fluoro-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one (PubChem CID 11096006) has the molecular formula C7H5FN2O3S and a molecular weight of 216.19 g/mol. Its IUPAC name is 7-fluoro-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one.

Molecular Properties

Compound Name7-fluoro-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one
PubChem CID11096006
Molecular FormulaC7H5FN2O3S
Molecular Weight216.19 g/mol
Exact Mass216.00
IUPAC Name7-fluoro-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one
SMILESO=C1Nc2ccc(F)cc2S(=O)(=O)N1
InChIInChI=1S/C7H5FN2O3S/c8-4-1-2-5-6(3-4)14(12,13)10-7(11)9-5/h1-3H,(H2,9,10,11)
InChIKeyITUAGWGFDMMEMY-UHFFFAOYSA-N
XLogP0.65
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.19
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one?
The IUPAC name of 7-fluoro-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one (CID 11096006) is 7-fluoro-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one.
What is the SMILES notation for 7-fluoro-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one?
The canonical SMILES for 7-fluoro-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one is O=C1Nc2ccc(F)cc2S(=O)(=O)N1.
What is the InChIKey of 7-fluoro-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one?
The InChIKey is ITUAGWGFDMMEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5FN2O3S/c8-4-1-2-5-6(3-4)14(12,13)10-7(11)9-5/h1-3H,(H2,9,10,11).
What are the key properties of 7-fluoro-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one?
7-fluoro-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one has a molecular weight of 216.19 g/mol, XLogP of 0.65, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one is sourced from PubChem (CID 11096006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).