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

C10H11FN2O3S — CID 15908222

IUPAC9-fluoro-5,5-dioxo-2,3,3a,4-tetrahydro-1H-pyrrolo[2,1-c][1,2,4]benzothiadiazin-7-ol
SMILESO=S1(=O)NC2CCCN2c2c(F)cc(O)cc21
InChIInChI=1S/C10H11FN2O3S/c11-7-4-6(14)5-8-10(7)13-3-1-2-9(13)12-17(8,15)16/h4-5,9,12,14H,1-3H2
InChIKeyUFHUDUJXSUSJSW-UHFFFAOYSA-N
MW258.27 g/mol
LogP0.75
Rot. Bonds

About 9-fluoro-5,5-dioxo-2,3,3a,4-tetrahydro-1H-pyrrolo[2,1-c][1,2,4]benzothiadiazin-7-ol

9-fluoro-5,5-dioxo-2,3,3a,4-tetrahydro-1H-pyrrolo[2,1-c][1,2,4]benzothiadiazin-7-ol (PubChem CID 15908222) has the molecular formula C10H11FN2O3S and a molecular weight of 258.27 g/mol. Its IUPAC name is 9-fluoro-5,5-dioxo-2,3,3a,4-tetrahydro-1H-pyrrolo[2,1-c][1,2,4]benzothiadiazin-7-ol.

Molecular Properties

Compound Name9-fluoro-5,5-dioxo-2,3,3a,4-tetrahydro-1H-pyrrolo[2,1-c][1,2,4]benzothiadiazin-7-ol
PubChem CID15908222
Molecular FormulaC10H11FN2O3S
Molecular Weight258.27 g/mol
Exact Mass258.05
IUPAC Name9-fluoro-5,5-dioxo-2,3,3a,4-tetrahydro-1H-pyrrolo[2,1-c][1,2,4]benzothiadiazin-7-ol
SMILESO=S1(=O)NC2CCCN2c2c(F)cc(O)cc21
InChIInChI=1S/C10H11FN2O3S/c11-7-4-6(14)5-8-10(7)13-3-1-2-9(13)12-17(8,15)16/h4-5,9,12,14H,1-3H2
InChIKeyUFHUDUJXSUSJSW-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 9-fluoro-5,5-dioxo-2,3,3a,4-tetrahydro-1H-pyrrolo[2,1-c][1,2,4]benzothiadiazin-7-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-fluoro-5,5-dioxo-2,3,3a,4-tetrahydro-1H-pyrrolo[2,1-c][1,2,4]benzothiadiazin-7-ol?
The IUPAC name of 9-fluoro-5,5-dioxo-2,3,3a,4-tetrahydro-1H-pyrrolo[2,1-c][1,2,4]benzothiadiazin-7-ol (CID 15908222) is 9-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 9-fluoro-5,5-dioxo-2,3,3a,4-tetrahydro-1H-pyrrolo[2,1-c][1,2,4]benzothiadiazin-7-ol?
The canonical SMILES for 9-fluoro-5,5-dioxo-2,3,3a,4-tetrahydro-1H-pyrrolo[2,1-c][1,2,4]benzothiadiazin-7-ol is O=S1(=O)NC2CCCN2c2c(F)cc(O)cc21.
What is the InChIKey of 9-fluoro-5,5-dioxo-2,3,3a,4-tetrahydro-1H-pyrrolo[2,1-c][1,2,4]benzothiadiazin-7-ol?
The InChIKey is UFHUDUJXSUSJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O3S/c11-7-4-6(14)5-8-10(7)13-3-1-2-9(13)12-17(8,15)16/h4-5,9,12,14H,1-3H2.
What are the key properties of 9-fluoro-5,5-dioxo-2,3,3a,4-tetrahydro-1H-pyrrolo[2,1-c][1,2,4]benzothiadiazin-7-ol?
9-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 9-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 15908222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).