N-[3-(trifluoromethylsulfanyl)phenyl]benzamide

C14H10F3NOS — CID 58602836

IUPACN-[3-(trifluoromethylsulfanyl)phenyl]benzamide
SMILESO=C(Nc1cccc(SC(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C14H10F3NOS/c15-14(16,17)20-12-8-4-7-11(9-12)18-13(19)10-5-2-1-3-6-10/h1-9H,(H,18,19)
InChIKeyMAWMNNGPACBYMP-UHFFFAOYSA-N
MW297.30 g/mol
LogP4.55
Rot. Bonds3

About N-[3-(trifluoromethylsulfanyl)phenyl]benzamide

N-[3-(trifluoromethylsulfanyl)phenyl]benzamide (PubChem CID 58602836) has the molecular formula C14H10F3NOS and a molecular weight of 297.30 g/mol. Its IUPAC name is N-[3-(trifluoromethylsulfanyl)phenyl]benzamide.

Molecular Properties

Compound NameN-[3-(trifluoromethylsulfanyl)phenyl]benzamide
PubChem CID58602836
Molecular FormulaC14H10F3NOS
Molecular Weight297.30 g/mol
Exact Mass297.04
IUPAC NameN-[3-(trifluoromethylsulfanyl)phenyl]benzamide
SMILESO=C(Nc1cccc(SC(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C14H10F3NOS/c15-14(16,17)20-12-8-4-7-11(9-12)18-13(19)10-5-2-1-3-6-10/h1-9H,(H,18,19)
InChIKeyMAWMNNGPACBYMP-UHFFFAOYSA-N
XLogP4.55
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[3-(trifluoromethylsulfanyl)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 N-[3-(trifluoromethylsulfanyl)phenyl]benzamide?
The IUPAC name of N-[3-(trifluoromethylsulfanyl)phenyl]benzamide (CID 58602836) is N-[3-(trifluoromethylsulfanyl)phenyl]benzamide.
What is the SMILES notation for N-[3-(trifluoromethylsulfanyl)phenyl]benzamide?
The canonical SMILES for N-[3-(trifluoromethylsulfanyl)phenyl]benzamide is O=C(Nc1cccc(SC(F)(F)F)c1)c1ccccc1.
What is the InChIKey of N-[3-(trifluoromethylsulfanyl)phenyl]benzamide?
The InChIKey is MAWMNNGPACBYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NOS/c15-14(16,17)20-12-8-4-7-11(9-12)18-13(19)10-5-2-1-3-6-10/h1-9H,(H,18,19).
What are the key properties of N-[3-(trifluoromethylsulfanyl)phenyl]benzamide?
N-[3-(trifluoromethylsulfanyl)phenyl]benzamide has a molecular weight of 297.30 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(trifluoromethylsulfanyl)phenyl]benzamide is sourced from PubChem (CID 58602836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).