3,4,5-trifluoro-N-(4-methylsulfanylphenyl)benzamide

C14H10F3NOS — CID 63188297

IUPAC3,4,5-trifluoro-N-(4-methylsulfanylphenyl)benzamide
SMILESCSc1ccc(NC(=O)c2cc(F)c(F)c(F)c2)cc1
InChIInChI=1S/C14H10F3NOS/c1-20-10-4-2-9(3-5-10)18-14(19)8-6-11(15)13(17)12(16)7-8/h2-7H,1H3,(H,18,19)
InChIKeyRXGRJKMORGVRFK-UHFFFAOYSA-N
MW297.30 g/mol
LogP4.08
Rot. Bonds3

About 3,4,5-trifluoro-N-(4-methylsulfanylphenyl)benzamide

3,4,5-trifluoro-N-(4-methylsulfanylphenyl)benzamide (PubChem CID 63188297) has the molecular formula C14H10F3NOS and a molecular weight of 297.30 g/mol. Its IUPAC name is 3,4,5-trifluoro-N-(4-methylsulfanylphenyl)benzamide.

Molecular Properties

Compound Name3,4,5-trifluoro-N-(4-methylsulfanylphenyl)benzamide
PubChem CID63188297
Molecular FormulaC14H10F3NOS
Molecular Weight297.30 g/mol
Exact Mass297.04
IUPAC Name3,4,5-trifluoro-N-(4-methylsulfanylphenyl)benzamide
SMILESCSc1ccc(NC(=O)c2cc(F)c(F)c(F)c2)cc1
InChIInChI=1S/C14H10F3NOS/c1-20-10-4-2-9(3-5-10)18-14(19)8-6-11(15)13(17)12(16)7-8/h2-7H,1H3,(H,18,19)
InChIKeyRXGRJKMORGVRFK-UHFFFAOYSA-N
XLogP4.08
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 ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,4,5-trifluoro-N-(4-methylsulfanylphenyl)benzamide?
The IUPAC name of 3,4,5-trifluoro-N-(4-methylsulfanylphenyl)benzamide (CID 63188297) is 3,4,5-trifluoro-N-(4-methylsulfanylphenyl)benzamide.
What is the SMILES notation for 3,4,5-trifluoro-N-(4-methylsulfanylphenyl)benzamide?
The canonical SMILES for 3,4,5-trifluoro-N-(4-methylsulfanylphenyl)benzamide is CSc1ccc(NC(=O)c2cc(F)c(F)c(F)c2)cc1.
What is the InChIKey of 3,4,5-trifluoro-N-(4-methylsulfanylphenyl)benzamide?
The InChIKey is RXGRJKMORGVRFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NOS/c1-20-10-4-2-9(3-5-10)18-14(19)8-6-11(15)13(17)12(16)7-8/h2-7H,1H3,(H,18,19).
What are the key properties of 3,4,5-trifluoro-N-(4-methylsulfanylphenyl)benzamide?
3,4,5-trifluoro-N-(4-methylsulfanylphenyl)benzamide has a molecular weight of 297.30 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trifluoro-N-(4-methylsulfanylphenyl)benzamide is sourced from PubChem (CID 63188297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).