4,7-bis(4-fluorophenyl)-2,1,3-benzothiadiazole

C18H10F2N2S — CID 71425392

IUPAC4,7-bis(4-fluorophenyl)-2,1,3-benzothiadiazole
SMILESFc1ccc(-c2ccc(-c3ccc(F)cc3)c3nsnc23)cc1
InChIInChI=1S/C18H10F2N2S/c19-13-5-1-11(2-6-13)15-9-10-16(18-17(15)21-23-22-18)12-3-7-14(20)8-4-12/h1-10H
InChIKeyOFAFRHYSUZTOHU-UHFFFAOYSA-N
MW324.36 g/mol
LogP5.30
Rot. Bonds2

About 4,7-bis(4-fluorophenyl)-2,1,3-benzothiadiazole

4,7-bis(4-fluorophenyl)-2,1,3-benzothiadiazole (PubChem CID 71425392) has the molecular formula C18H10F2N2S and a molecular weight of 324.36 g/mol. Its IUPAC name is 4,7-bis(4-fluorophenyl)-2,1,3-benzothiadiazole.

Molecular Properties

Compound Name4,7-bis(4-fluorophenyl)-2,1,3-benzothiadiazole
PubChem CID71425392
Molecular FormulaC18H10F2N2S
Molecular Weight324.36 g/mol
Exact Mass324.05
IUPAC Name4,7-bis(4-fluorophenyl)-2,1,3-benzothiadiazole
SMILESFc1ccc(-c2ccc(-c3ccc(F)cc3)c3nsnc23)cc1
InChIInChI=1S/C18H10F2N2S/c19-13-5-1-11(2-6-13)15-9-10-16(18-17(15)21-23-22-18)12-3-7-14(20)8-4-12/h1-10H
InChIKeyOFAFRHYSUZTOHU-UHFFFAOYSA-N
XLogP5.30
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.36
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,7-bis(4-fluorophenyl)-2,1,3-benzothiadiazole?
The IUPAC name of 4,7-bis(4-fluorophenyl)-2,1,3-benzothiadiazole (CID 71425392) is 4,7-bis(4-fluorophenyl)-2,1,3-benzothiadiazole.
What is the SMILES notation for 4,7-bis(4-fluorophenyl)-2,1,3-benzothiadiazole?
The canonical SMILES for 4,7-bis(4-fluorophenyl)-2,1,3-benzothiadiazole is Fc1ccc(-c2ccc(-c3ccc(F)cc3)c3nsnc23)cc1.
What is the InChIKey of 4,7-bis(4-fluorophenyl)-2,1,3-benzothiadiazole?
The InChIKey is OFAFRHYSUZTOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F2N2S/c19-13-5-1-11(2-6-13)15-9-10-16(18-17(15)21-23-22-18)12-3-7-14(20)8-4-12/h1-10H.
What are the key properties of 4,7-bis(4-fluorophenyl)-2,1,3-benzothiadiazole?
4,7-bis(4-fluorophenyl)-2,1,3-benzothiadiazole has a molecular weight of 324.36 g/mol, XLogP of 5.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-bis(4-fluorophenyl)-2,1,3-benzothiadiazole is sourced from PubChem (CID 71425392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).