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

C13H8F4N2OS — CID 107033712

IUPAC4-fluoro-3-sulfanyl-N-[6-(trifluoromethyl)-3-pyridinyl]benzamide
SMILESO=C(Nc1ccc(C(F)(F)F)nc1)c1ccc(F)c(S)c1
InChIInChI=1S/C13H8F4N2OS/c14-9-3-1-7(5-10(9)21)12(20)19-8-2-4-11(18-6-8)13(15,16)17/h1-6,21H,(H,19,20)
InChIKeyNSWDJQYFMNNBMF-UHFFFAOYSA-N
MW316.28 g/mol
LogP3.78
Rot. Bonds2

About 4-fluoro-3-sulfanyl-N-[6-(trifluoromethyl)-3-pyridinyl]benzamide

4-fluoro-3-sulfanyl-N-[6-(trifluoromethyl)-3-pyridinyl]benzamide (PubChem CID 107033712) has the molecular formula C13H8F4N2OS and a molecular weight of 316.28 g/mol. Its IUPAC name is 4-fluoro-3-sulfanyl-N-[6-(trifluoromethyl)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name4-fluoro-3-sulfanyl-N-[6-(trifluoromethyl)-3-pyridinyl]benzamide
PubChem CID107033712
Molecular FormulaC13H8F4N2OS
Molecular Weight316.28 g/mol
Exact Mass316.03
IUPAC Name4-fluoro-3-sulfanyl-N-[6-(trifluoromethyl)-3-pyridinyl]benzamide
SMILESO=C(Nc1ccc(C(F)(F)F)nc1)c1ccc(F)c(S)c1
InChIInChI=1S/C13H8F4N2OS/c14-9-3-1-7(5-10(9)21)12(20)19-8-2-4-11(18-6-8)13(15,16)17/h1-6,21H,(H,19,20)
InChIKeyNSWDJQYFMNNBMF-UHFFFAOYSA-N
XLogP3.78
TPSA41.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.28
LogP ≤ 53.78
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-N-(6-methyl-3-pyridinyl)-3-sulfanylbenzamide
CID 107033145
3-sulfanyl-N-[6-(trifluoromethyl)-3-pyridinyl]benzamide
CID 107033720
6-fluoro-N-[6-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide
CID 82707407
4-bromo-3-hydroxy-N-[6-(trifluoromethyl)-3-pyridinyl]benzamide
CID 103957726
3-amino-5-fluoro-N-[6-(trifluoromethyl)-3-pyridinyl]benzamide
CID 82792233
5-bromo-N-[6-(trifluoromethyl)-3-pyridinyl]thiophene-3-carboxamide
CID 82706170
N-(2,4-difluorophenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 33164256
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-(hydroxymethyl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 64794112
N-(2,3-dihydro-1H-inden-5-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 33167941

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-sulfanyl-N-[6-(trifluoromethyl)-3-pyridinyl]benzamide?
The IUPAC name of 4-fluoro-3-sulfanyl-N-[6-(trifluoromethyl)-3-pyridinyl]benzamide (CID 107033712) is 4-fluoro-3-sulfanyl-N-[6-(trifluoromethyl)-3-pyridinyl]benzamide.
What is the SMILES notation for 4-fluoro-3-sulfanyl-N-[6-(trifluoromethyl)-3-pyridinyl]benzamide?
The canonical SMILES for 4-fluoro-3-sulfanyl-N-[6-(trifluoromethyl)-3-pyridinyl]benzamide is O=C(Nc1ccc(C(F)(F)F)nc1)c1ccc(F)c(S)c1.
What is the InChIKey of 4-fluoro-3-sulfanyl-N-[6-(trifluoromethyl)-3-pyridinyl]benzamide?
The InChIKey is NSWDJQYFMNNBMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F4N2OS/c14-9-3-1-7(5-10(9)21)12(20)19-8-2-4-11(18-6-8)13(15,16)17/h1-6,21H,(H,19,20).
What are the key properties of 4-fluoro-3-sulfanyl-N-[6-(trifluoromethyl)-3-pyridinyl]benzamide?
4-fluoro-3-sulfanyl-N-[6-(trifluoromethyl)-3-pyridinyl]benzamide has a molecular weight of 316.28 g/mol, XLogP of 3.78, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-sulfanyl-N-[6-(trifluoromethyl)-3-pyridinyl]benzamide is sourced from PubChem (CID 107033712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).