3-sulfanyl-N-[6-(trifluoromethyl)-3-pyridinyl]benzamide

C13H9F3N2OS — CID 107033720

IUPAC3-sulfanyl-N-[6-(trifluoromethyl)-3-pyridinyl]benzamide
SMILESO=C(Nc1ccc(C(F)(F)F)nc1)c1cccc(S)c1
InChIInChI=1S/C13H9F3N2OS/c14-13(15,16)11-5-4-9(7-17-11)18-12(19)8-2-1-3-10(20)6-8/h1-7,20H,(H,18,19)
InChIKeyRUXUVDFASHVMQO-UHFFFAOYSA-N
MW298.29 g/mol
LogP3.64
Rot. Bonds2

About 3-sulfanyl-N-[6-(trifluoromethyl)-3-pyridinyl]benzamide

3-sulfanyl-N-[6-(trifluoromethyl)-3-pyridinyl]benzamide (PubChem CID 107033720) has the molecular formula C13H9F3N2OS and a molecular weight of 298.29 g/mol. Its IUPAC name is 3-sulfanyl-N-[6-(trifluoromethyl)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name3-sulfanyl-N-[6-(trifluoromethyl)-3-pyridinyl]benzamide
PubChem CID107033720
Molecular FormulaC13H9F3N2OS
Molecular Weight298.29 g/mol
Exact Mass298.04
IUPAC Name3-sulfanyl-N-[6-(trifluoromethyl)-3-pyridinyl]benzamide
SMILESO=C(Nc1ccc(C(F)(F)F)nc1)c1cccc(S)c1
InChIInChI=1S/C13H9F3N2OS/c14-13(15,16)11-5-4-9(7-17-11)18-12(19)8-2-1-3-10(20)6-8/h1-7,20H,(H,18,19)
InChIKeyRUXUVDFASHVMQO-UHFFFAOYSA-N
XLogP3.64
TPSA41.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.29
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-3-sulfanyl-N-[6-(trifluoromethyl)-3-pyridinyl]benzamide
CID 107033712
5-bromo-N-[6-(trifluoromethyl)-3-pyridinyl]thiophene-3-carboxamide
CID 82706170
4-bromo-3-hydroxy-N-[6-(trifluoromethyl)-3-pyridinyl]benzamide
CID 103957726
6-fluoro-N-[6-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide
CID 82707407
3-amino-5-fluoro-N-[6-(trifluoromethyl)-3-pyridinyl]benzamide
CID 82792233
N-(3-fluorophenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 24685793
N-[6-(trifluoromethyl)-3-pyridinyl]acetamide
CID 59578511
N-[6-(trifluoromethyl)-3-pyridinyl]pyrido[2,3-b]pyrazine-7-carboxamide
CID 166212260
N-(4-iodophenyl)-3-sulfanylbenzamide
CID 107022116
6-bromo-N-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide
CID 103890126
3-(3-methylphenyl)-N-[6-(trifluoromethyl)-3-pyridinyl]quinoline-7-carboxamide
CID 155287878
N-[3-(1,3-benzodioxole-5-carbonylamino)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 34968963

Frequently Asked Questions

What is the IUPAC name of 3-sulfanyl-N-[6-(trifluoromethyl)-3-pyridinyl]benzamide?
The IUPAC name of 3-sulfanyl-N-[6-(trifluoromethyl)-3-pyridinyl]benzamide (CID 107033720) is 3-sulfanyl-N-[6-(trifluoromethyl)-3-pyridinyl]benzamide.
What is the SMILES notation for 3-sulfanyl-N-[6-(trifluoromethyl)-3-pyridinyl]benzamide?
The canonical SMILES for 3-sulfanyl-N-[6-(trifluoromethyl)-3-pyridinyl]benzamide is O=C(Nc1ccc(C(F)(F)F)nc1)c1cccc(S)c1.
What is the InChIKey of 3-sulfanyl-N-[6-(trifluoromethyl)-3-pyridinyl]benzamide?
The InChIKey is RUXUVDFASHVMQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N2OS/c14-13(15,16)11-5-4-9(7-17-11)18-12(19)8-2-1-3-10(20)6-8/h1-7,20H,(H,18,19).
What are the key properties of 3-sulfanyl-N-[6-(trifluoromethyl)-3-pyridinyl]benzamide?
3-sulfanyl-N-[6-(trifluoromethyl)-3-pyridinyl]benzamide has a molecular weight of 298.29 g/mol, XLogP of 3.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-sulfanyl-N-[6-(trifluoromethyl)-3-pyridinyl]benzamide is sourced from PubChem (CID 107033720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).