8-fluoro-5,5-dioxo-2,3,3a,4-tetrahydro-1H-pyrrolo[2,1-c][1,2,4]benzothiadiazin-7-ol

C10H11FN2O3S — CID 15908221

IUPAC8-fluoro-5,5-dioxo-2,3,3a,4-tetrahydro-1H-pyrrolo[2,1-c][1,2,4]benzothiadiazin-7-ol
SMILESO=S1(=O)NC2CCCN2c2cc(F)c(O)cc21
InChIInChI=1S/C10H11FN2O3S/c11-6-4-7-9(5-8(6)14)17(15,16)12-10-2-1-3-13(7)10/h4-5,10,12,14H,1-3H2
InChIKeyNKICQGIGUIJBMY-UHFFFAOYSA-N
MW258.27 g/mol
LogP0.75
Rot. Bonds

About 8-fluoro-5,5-dioxo-2,3,3a,4-tetrahydro-1H-pyrrolo[2,1-c][1,2,4]benzothiadiazin-7-ol

8-fluoro-5,5-dioxo-2,3,3a,4-tetrahydro-1H-pyrrolo[2,1-c][1,2,4]benzothiadiazin-7-ol (PubChem CID 15908221) has the molecular formula C10H11FN2O3S and a molecular weight of 258.27 g/mol. Its IUPAC name is 8-fluoro-5,5-dioxo-2,3,3a,4-tetrahydro-1H-pyrrolo[2,1-c][1,2,4]benzothiadiazin-7-ol.

Molecular Properties

Compound Name8-fluoro-5,5-dioxo-2,3,3a,4-tetrahydro-1H-pyrrolo[2,1-c][1,2,4]benzothiadiazin-7-ol
PubChem CID15908221
Molecular FormulaC10H11FN2O3S
Molecular Weight258.27 g/mol
Exact Mass258.05
IUPAC Name8-fluoro-5,5-dioxo-2,3,3a,4-tetrahydro-1H-pyrrolo[2,1-c][1,2,4]benzothiadiazin-7-ol
SMILESO=S1(=O)NC2CCCN2c2cc(F)c(O)cc21
InChIInChI=1S/C10H11FN2O3S/c11-6-4-7-9(5-8(6)14)17(15,16)12-10-2-1-3-13(7)10/h4-5,10,12,14H,1-3H2
InChIKeyNKICQGIGUIJBMY-UHFFFAOYSA-N
XLogP0.75
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 8-fluoro-5,5-dioxo-2,3,3a,4-tetrahydro-1H-pyrrolo[2,1-c][1,2,4]benzothiadiazin-7-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-5,5-dioxo-2,3,3a,4-tetrahydro-1H-pyrrolo[2,1-c][1,2,4]benzothiadiazin-7-ol?
The IUPAC name of 8-fluoro-5,5-dioxo-2,3,3a,4-tetrahydro-1H-pyrrolo[2,1-c][1,2,4]benzothiadiazin-7-ol (CID 15908221) is 8-fluoro-5,5-dioxo-2,3,3a,4-tetrahydro-1H-pyrrolo[2,1-c][1,2,4]benzothiadiazin-7-ol.
What is the SMILES notation for 8-fluoro-5,5-dioxo-2,3,3a,4-tetrahydro-1H-pyrrolo[2,1-c][1,2,4]benzothiadiazin-7-ol?
The canonical SMILES for 8-fluoro-5,5-dioxo-2,3,3a,4-tetrahydro-1H-pyrrolo[2,1-c][1,2,4]benzothiadiazin-7-ol is O=S1(=O)NC2CCCN2c2cc(F)c(O)cc21.
What is the InChIKey of 8-fluoro-5,5-dioxo-2,3,3a,4-tetrahydro-1H-pyrrolo[2,1-c][1,2,4]benzothiadiazin-7-ol?
The InChIKey is NKICQGIGUIJBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O3S/c11-6-4-7-9(5-8(6)14)17(15,16)12-10-2-1-3-13(7)10/h4-5,10,12,14H,1-3H2.
What are the key properties of 8-fluoro-5,5-dioxo-2,3,3a,4-tetrahydro-1H-pyrrolo[2,1-c][1,2,4]benzothiadiazin-7-ol?
8-fluoro-5,5-dioxo-2,3,3a,4-tetrahydro-1H-pyrrolo[2,1-c][1,2,4]benzothiadiazin-7-ol has a molecular weight of 258.27 g/mol, XLogP of 0.75, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-5,5-dioxo-2,3,3a,4-tetrahydro-1H-pyrrolo[2,1-c][1,2,4]benzothiadiazin-7-ol is sourced from PubChem (CID 15908221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).