7-fluoro-2,3-dihydro-1H-pyrrolo[2,1-c][1,2,4]benzothiadiazine 5,5-dioxide

C10H9FN2O2S — CID 2345188

IUPAC7-fluoro-2,3-dihydro-1H-pyrrolo[2,1-c][1,2,4]benzothiadiazine 5,5-dioxide
SMILESO=S1(=O)N=C2CCCN2c2ccc(F)cc21
InChIInChI=1S/C10H9FN2O2S/c11-7-3-4-8-9(6-7)16(14,15)12-10-2-1-5-13(8)10/h3-4,6H,1-2,5H2
InChIKeyZNURDKOMUVPTIY-UHFFFAOYSA-N
MW240.26 g/mol
LogP1.53
Rot. Bonds

About 7-fluoro-2,3-dihydro-1H-pyrrolo[2,1-c][1,2,4]benzothiadiazine 5,5-dioxide

7-fluoro-2,3-dihydro-1H-pyrrolo[2,1-c][1,2,4]benzothiadiazine 5,5-dioxide (PubChem CID 2345188) has the molecular formula C10H9FN2O2S and a molecular weight of 240.26 g/mol. Its IUPAC name is 7-fluoro-2,3-dihydro-1H-pyrrolo[2,1-c][1,2,4]benzothiadiazine 5,5-dioxide.

Molecular Properties

Compound Name7-fluoro-2,3-dihydro-1H-pyrrolo[2,1-c][1,2,4]benzothiadiazine 5,5-dioxide
PubChem CID2345188
Molecular FormulaC10H9FN2O2S
Molecular Weight240.26 g/mol
Exact Mass240.04
IUPAC Name7-fluoro-2,3-dihydro-1H-pyrrolo[2,1-c][1,2,4]benzothiadiazine 5,5-dioxide
SMILESO=S1(=O)N=C2CCCN2c2ccc(F)cc21
InChIInChI=1S/C10H9FN2O2S/c11-7-3-4-8-9(6-7)16(14,15)12-10-2-1-5-13(8)10/h3-4,6H,1-2,5H2
InChIKeyZNURDKOMUVPTIY-UHFFFAOYSA-N
XLogP1.53
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2,3-dihydro-1H-pyrrolo[2,1-c][1,2,4]benzothiadiazine 5,5-dioxide?
The IUPAC name of 7-fluoro-2,3-dihydro-1H-pyrrolo[2,1-c][1,2,4]benzothiadiazine 5,5-dioxide (CID 2345188) is 7-fluoro-2,3-dihydro-1H-pyrrolo[2,1-c][1,2,4]benzothiadiazine 5,5-dioxide.
What is the SMILES notation for 7-fluoro-2,3-dihydro-1H-pyrrolo[2,1-c][1,2,4]benzothiadiazine 5,5-dioxide?
The canonical SMILES for 7-fluoro-2,3-dihydro-1H-pyrrolo[2,1-c][1,2,4]benzothiadiazine 5,5-dioxide is O=S1(=O)N=C2CCCN2c2ccc(F)cc21.
What is the InChIKey of 7-fluoro-2,3-dihydro-1H-pyrrolo[2,1-c][1,2,4]benzothiadiazine 5,5-dioxide?
The InChIKey is ZNURDKOMUVPTIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O2S/c11-7-3-4-8-9(6-7)16(14,15)12-10-2-1-5-13(8)10/h3-4,6H,1-2,5H2.
What are the key properties of 7-fluoro-2,3-dihydro-1H-pyrrolo[2,1-c][1,2,4]benzothiadiazine 5,5-dioxide?
7-fluoro-2,3-dihydro-1H-pyrrolo[2,1-c][1,2,4]benzothiadiazine 5,5-dioxide has a molecular weight of 240.26 g/mol, XLogP of 1.53, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2,3-dihydro-1H-pyrrolo[2,1-c][1,2,4]benzothiadiazine 5,5-dioxide is sourced from PubChem (CID 2345188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).