N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-2,2,2-trifluoroacetamide

C8H2Cl2F3N3OS — CID 64592845

IUPACN-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-2,2,2-trifluoroacetamide
SMILESO=C(Nc1c(Cl)cc(Cl)c2nsnc12)C(F)(F)F
InChIInChI=1S/C8H2Cl2F3N3OS/c9-2-1-3(10)5-6(16-18-15-5)4(2)14-7(17)8(11,12)13/h1H,(H,14,17)
InChIKeyAXQWXRWFOIWSGZ-UHFFFAOYSA-N
MW316.09 g/mol
LogP3.50
Rot. Bonds1

About N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-2,2,2-trifluoroacetamide

N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-2,2,2-trifluoroacetamide (PubChem CID 64592845) has the molecular formula C8H2Cl2F3N3OS and a molecular weight of 316.09 g/mol. Its IUPAC name is N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-2,2,2-trifluoroacetamide
PubChem CID64592845
Molecular FormulaC8H2Cl2F3N3OS
Molecular Weight316.09 g/mol
Exact Mass314.92
IUPAC NameN-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-2,2,2-trifluoroacetamide
SMILESO=C(Nc1c(Cl)cc(Cl)c2nsnc12)C(F)(F)F
InChIInChI=1S/C8H2Cl2F3N3OS/c9-2-1-3(10)5-6(16-18-15-5)4(2)14-7(17)8(11,12)13/h1H,(H,14,17)
InChIKeyAXQWXRWFOIWSGZ-UHFFFAOYSA-N
XLogP3.50
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.09
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-2,2,2-trifluoroacetamide 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 N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-2,2,2-trifluoroacetamide (CID 64592845) is N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-2,2,2-trifluoroacetamide is O=C(Nc1c(Cl)cc(Cl)c2nsnc12)C(F)(F)F.
What is the InChIKey of N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-2,2,2-trifluoroacetamide?
The InChIKey is AXQWXRWFOIWSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2Cl2F3N3OS/c9-2-1-3(10)5-6(16-18-15-5)4(2)14-7(17)8(11,12)13/h1H,(H,14,17).
What are the key properties of N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-2,2,2-trifluoroacetamide?
N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-2,2,2-trifluoroacetamide has a molecular weight of 316.09 g/mol, XLogP of 3.50, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 64592845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).