2,5-difluoro-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide

C15H10F5NOS — CID 43041819

IUPAC2,5-difluoro-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide
SMILESO=C(Nc1ccccc1SCC(F)(F)F)c1cc(F)ccc1F
InChIInChI=1S/C15H10F5NOS/c16-9-5-6-11(17)10(7-9)14(22)21-12-3-1-2-4-13(12)23-8-15(18,19)20/h1-7H,8H2,(H,21,22)
InChIKeyXGVVGLLAJCUDRO-UHFFFAOYSA-N
MW347.31 g/mol
LogP4.87
Rot. Bonds4

About 2,5-difluoro-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide

2,5-difluoro-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide (PubChem CID 43041819) has the molecular formula C15H10F5NOS and a molecular weight of 347.31 g/mol. Its IUPAC name is 2,5-difluoro-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide.

Molecular Properties

Compound Name2,5-difluoro-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide
PubChem CID43041819
Molecular FormulaC15H10F5NOS
Molecular Weight347.31 g/mol
Exact Mass347.04
IUPAC Name2,5-difluoro-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide
SMILESO=C(Nc1ccccc1SCC(F)(F)F)c1cc(F)ccc1F
InChIInChI=1S/C15H10F5NOS/c16-9-5-6-11(17)10(7-9)14(22)21-12-3-1-2-4-13(12)23-8-15(18,19)20/h1-7H,8H2,(H,21,22)
InChIKeyXGVVGLLAJCUDRO-UHFFFAOYSA-N
XLogP4.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.31
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,5-difluoro-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide 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 2,5-difluoro-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide?
The IUPAC name of 2,5-difluoro-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide (CID 43041819) is 2,5-difluoro-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide.
What is the SMILES notation for 2,5-difluoro-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide?
The canonical SMILES for 2,5-difluoro-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide is O=C(Nc1ccccc1SCC(F)(F)F)c1cc(F)ccc1F.
What is the InChIKey of 2,5-difluoro-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide?
The InChIKey is XGVVGLLAJCUDRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F5NOS/c16-9-5-6-11(17)10(7-9)14(22)21-12-3-1-2-4-13(12)23-8-15(18,19)20/h1-7H,8H2,(H,21,22).
What are the key properties of 2,5-difluoro-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide?
2,5-difluoro-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide has a molecular weight of 347.31 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide is sourced from PubChem (CID 43041819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).