N-(4-ethylsulfonylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide

C15H13F3N2O3S — CID 33174489

IUPACN-(4-ethylsulfonylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCCS(=O)(=O)c1ccc(NC(=O)c2ccc(C(F)(F)F)nc2)cc1
InChIInChI=1S/C15H13F3N2O3S/c1-2-24(22,23)12-6-4-11(5-7-12)20-14(21)10-3-8-13(19-9-10)15(16,17)18/h3-9H,2H2,1H3,(H,20,21)
InChIKeyTYOSWXCPFSOWGS-UHFFFAOYSA-N
MW358.34 g/mol
LogP3.15
Rot. Bonds4

About N-(4-ethylsulfonylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide

N-(4-ethylsulfonylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 33174489) has the molecular formula C15H13F3N2O3S and a molecular weight of 358.34 g/mol. Its IUPAC name is N-(4-ethylsulfonylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-ethylsulfonylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID33174489
Molecular FormulaC15H13F3N2O3S
Molecular Weight358.34 g/mol
Exact Mass358.06
IUPAC NameN-(4-ethylsulfonylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCCS(=O)(=O)c1ccc(NC(=O)c2ccc(C(F)(F)F)nc2)cc1
InChIInChI=1S/C15H13F3N2O3S/c1-2-24(22,23)12-6-4-11(5-7-12)20-14(21)10-3-8-13(19-9-10)15(16,17)18/h3-9H,2H2,1H3,(H,20,21)
InChIKeyTYOSWXCPFSOWGS-UHFFFAOYSA-N
XLogP3.15
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.34
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(hydroxymethyl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 64794112
N-(4-butylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 33163993
N-[4-(propan-2-ylcarbamoyl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 131941411
N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 43055984
6-fluoro-N-[6-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide
CID 82707407
6-(trifluoromethyl)pyridine-3-carbohydrazide;dihydrochloride
CID 175168012
N-(3-fluorophenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 24685793
N-[6-(trifluoromethyl)-3-pyridinyl]acetamide
CID 59578511
N-(2,3-dihydro-1H-inden-5-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 33167941
N-[4-(1,2,4-triazol-1-yl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 37120372
N-[4-(morpholin-4-ylmethyl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 86917906
N-(5-acetyl-2-pyridinyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 167658935

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylsulfonylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-(4-ethylsulfonylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide (CID 33174489) is N-(4-ethylsulfonylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-ethylsulfonylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-(4-ethylsulfonylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide is CCS(=O)(=O)c1ccc(NC(=O)c2ccc(C(F)(F)F)nc2)cc1.
What is the InChIKey of N-(4-ethylsulfonylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is TYOSWXCPFSOWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O3S/c1-2-24(22,23)12-6-4-11(5-7-12)20-14(21)10-3-8-13(19-9-10)15(16,17)18/h3-9H,2H2,1H3,(H,20,21).
What are the key properties of N-(4-ethylsulfonylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide?
N-(4-ethylsulfonylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 358.34 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylsulfonylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 33174489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).