4-fluoro-N-[4-[3-(trifluoromethyl)phenyl]sulfanylphenyl]benzamide

C20H13F4NOS — CID 3754899

IUPAC4-fluoro-N-[4-[3-(trifluoromethyl)phenyl]sulfanylphenyl]benzamide
SMILESO=C(Nc1ccc(Sc2cccc(C(F)(F)F)c2)cc1)c1ccc(F)cc1
InChIInChI=1S/C20H13F4NOS/c21-15-6-4-13(5-7-15)19(26)25-16-8-10-17(11-9-16)27-18-3-1-2-14(12-18)20(22,23)24/h1-12H,(H,25,26)
InChIKeyVUHCNOWWLHTDND-UHFFFAOYSA-N
MW391.39 g/mol
LogP6.25
Rot. Bonds4

About 4-fluoro-N-[4-[3-(trifluoromethyl)phenyl]sulfanylphenyl]benzamide

4-fluoro-N-[4-[3-(trifluoromethyl)phenyl]sulfanylphenyl]benzamide (PubChem CID 3754899) has the molecular formula C20H13F4NOS and a molecular weight of 391.39 g/mol. Its IUPAC name is 4-fluoro-N-[4-[3-(trifluoromethyl)phenyl]sulfanylphenyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[4-[3-(trifluoromethyl)phenyl]sulfanylphenyl]benzamide
PubChem CID3754899
Molecular FormulaC20H13F4NOS
Molecular Weight391.39 g/mol
Exact Mass391.07
IUPAC Name4-fluoro-N-[4-[3-(trifluoromethyl)phenyl]sulfanylphenyl]benzamide
SMILESO=C(Nc1ccc(Sc2cccc(C(F)(F)F)c2)cc1)c1ccc(F)cc1
InChIInChI=1S/C20H13F4NOS/c21-15-6-4-13(5-7-15)19(26)25-16-8-10-17(11-9-16)27-18-3-1-2-14(12-18)20(22,23)24/h1-12H,(H,25,26)
InChIKeyVUHCNOWWLHTDND-UHFFFAOYSA-N
XLogP6.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.39
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[4-[3-(trifluoromethyl)phenyl]sulfanylphenyl]benzamide?
The IUPAC name of 4-fluoro-N-[4-[3-(trifluoromethyl)phenyl]sulfanylphenyl]benzamide (CID 3754899) is 4-fluoro-N-[4-[3-(trifluoromethyl)phenyl]sulfanylphenyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[4-[3-(trifluoromethyl)phenyl]sulfanylphenyl]benzamide?
The canonical SMILES for 4-fluoro-N-[4-[3-(trifluoromethyl)phenyl]sulfanylphenyl]benzamide is O=C(Nc1ccc(Sc2cccc(C(F)(F)F)c2)cc1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[4-[3-(trifluoromethyl)phenyl]sulfanylphenyl]benzamide?
The InChIKey is VUHCNOWWLHTDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F4NOS/c21-15-6-4-13(5-7-15)19(26)25-16-8-10-17(11-9-16)27-18-3-1-2-14(12-18)20(22,23)24/h1-12H,(H,25,26).
What are the key properties of 4-fluoro-N-[4-[3-(trifluoromethyl)phenyl]sulfanylphenyl]benzamide?
4-fluoro-N-[4-[3-(trifluoromethyl)phenyl]sulfanylphenyl]benzamide has a molecular weight of 391.39 g/mol, XLogP of 6.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[4-[3-(trifluoromethyl)phenyl]sulfanylphenyl]benzamide is sourced from PubChem (CID 3754899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).