3-(3-fluorophenyl)-1H-2λ6,1,3-benzothiadiazole 2,2-dioxide

C12H9FN2O2S — CID 68896474

IUPAC3-(3-fluorophenyl)-1H-2λ6,1,3-benzothiadiazole 2,2-dioxide
SMILESO=S1(=O)Nc2ccccc2N1c1cccc(F)c1
InChIInChI=1S/C12H9FN2O2S/c13-9-4-3-5-10(8-9)15-12-7-2-1-6-11(12)14-18(15,16)17/h1-8,14H
InChIKeyUVGASJXQUPUGSD-UHFFFAOYSA-N
MW264.28 g/mol
LogP2.63
Rot. Bonds1

About 3-(3-fluorophenyl)-1H-2λ6,1,3-benzothiadiazole 2,2-dioxide

3-(3-fluorophenyl)-1H-2λ6,1,3-benzothiadiazole 2,2-dioxide (PubChem CID 68896474) has the molecular formula C12H9FN2O2S and a molecular weight of 264.28 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-1H-2λ6,1,3-benzothiadiazole 2,2-dioxide.

Molecular Properties

Compound Name3-(3-fluorophenyl)-1H-2λ6,1,3-benzothiadiazole 2,2-dioxide
PubChem CID68896474
Molecular FormulaC12H9FN2O2S
Molecular Weight264.28 g/mol
Exact Mass264.04
IUPAC Name3-(3-fluorophenyl)-1H-2λ6,1,3-benzothiadiazole 2,2-dioxide
SMILESO=S1(=O)Nc2ccccc2N1c1cccc(F)c1
InChIInChI=1S/C12H9FN2O2S/c13-9-4-3-5-10(8-9)15-12-7-2-1-6-11(12)14-18(15,16)17/h1-8,14H
InChIKeyUVGASJXQUPUGSD-UHFFFAOYSA-N
XLogP2.63
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-1H-2λ6,1,3-benzothiadiazole 2,2-dioxide?
The IUPAC name of 3-(3-fluorophenyl)-1H-2λ6,1,3-benzothiadiazole 2,2-dioxide (CID 68896474) is 3-(3-fluorophenyl)-1H-2λ6,1,3-benzothiadiazole 2,2-dioxide.
What is the SMILES notation for 3-(3-fluorophenyl)-1H-2λ6,1,3-benzothiadiazole 2,2-dioxide?
The canonical SMILES for 3-(3-fluorophenyl)-1H-2λ6,1,3-benzothiadiazole 2,2-dioxide is O=S1(=O)Nc2ccccc2N1c1cccc(F)c1.
What is the InChIKey of 3-(3-fluorophenyl)-1H-2λ6,1,3-benzothiadiazole 2,2-dioxide?
The InChIKey is UVGASJXQUPUGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2O2S/c13-9-4-3-5-10(8-9)15-12-7-2-1-6-11(12)14-18(15,16)17/h1-8,14H.
What are the key properties of 3-(3-fluorophenyl)-1H-2λ6,1,3-benzothiadiazole 2,2-dioxide?
3-(3-fluorophenyl)-1H-2λ6,1,3-benzothiadiazole 2,2-dioxide has a molecular weight of 264.28 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-1H-2λ6,1,3-benzothiadiazole 2,2-dioxide is sourced from PubChem (CID 68896474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).