N-(4-chlorophenyl)-6-ethylsulfanyl-4-(trifluoromethyl)pyridine-3-carboxamide

C15H12ClF3N2OS — CID 2727022

IUPACN-(4-chlorophenyl)-6-ethylsulfanyl-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESCCSc1cc(C(F)(F)F)c(C(=O)Nc2ccc(Cl)cc2)cn1
InChIInChI=1S/C15H12ClF3N2OS/c1-2-23-13-7-12(15(17,18)19)11(8-20-13)14(22)21-10-5-3-9(16)4-6-10/h3-8H,2H2,1H3,(H,21,22)
InChIKeyVDNYFPDHQOLCFN-UHFFFAOYSA-N
MW360.79 g/mol
LogP5.12
Rot. Bonds4

About N-(4-chlorophenyl)-6-ethylsulfanyl-4-(trifluoromethyl)pyridine-3-carboxamide

N-(4-chlorophenyl)-6-ethylsulfanyl-4-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 2727022) has the molecular formula C15H12ClF3N2OS and a molecular weight of 360.79 g/mol. Its IUPAC name is N-(4-chlorophenyl)-6-ethylsulfanyl-4-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-6-ethylsulfanyl-4-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID2727022
Molecular FormulaC15H12ClF3N2OS
Molecular Weight360.79 g/mol
Exact Mass360.03
IUPAC NameN-(4-chlorophenyl)-6-ethylsulfanyl-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESCCSc1cc(C(F)(F)F)c(C(=O)Nc2ccc(Cl)cc2)cn1
InChIInChI=1S/C15H12ClF3N2OS/c1-2-23-13-7-12(15(17,18)19)11(8-20-13)14(22)21-10-5-3-9(16)4-6-10/h3-8H,2H2,1H3,(H,21,22)
InChIKeyVDNYFPDHQOLCFN-UHFFFAOYSA-N
XLogP5.12
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.79
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-chlorophenyl)-6-ethylsulfanyl-4-(trifluoromethyl)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N-(4-chlorophenyl)-6-methylpyridine-3-carboxamide
CID 81225292
N-(4-chlorophenyl)-2-ethyl-4-methylpyrimidine-5-carboxamide
CID 53080138
6-chloro-N-[2-(4-chlorophenyl)-2-oxoethyl]-4-(trifluoromethyl)pyridine-3-carboxamide
CID 2781023
N-(4-chlorophenyl)-6-methyl-4-(propylamino)pyridine-3-carboxamide
CID 81238211
N-(4-chlorophenyl)-2-hydroxy-5-nitro-4-(trifluoromethyl)benzamide
CID 154198896
5-chloro-N-(4-chlorophenyl)-2-(ethylamino)benzamide
CID 63501473
5-(tert-butylamino)-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109195266
4-chloro-2-nitro-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]benzamide
CID 46467097
1-(4-chlorophenyl)-N-[4-(2-methylpropanoylamino)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 46669190
N-(6-ethylsulfanyl-3-pyridinyl)-2,3-dimethylbenzamide
CID 47085169
sodium 4-chloro-2-[(4-chlorophenyl)carbamoyl]phenolate
CID 102504156
N-[3-(4-chlorophenyl)sulfinamoyl-4-fluorophenyl]-4-(trifluoromethyl)pyridine-3-carboxamide
CID 156859626

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-6-ethylsulfanyl-4-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-6-ethylsulfanyl-4-(trifluoromethyl)pyridine-3-carboxamide (CID 2727022) is N-(4-chlorophenyl)-6-ethylsulfanyl-4-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-6-ethylsulfanyl-4-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-6-ethylsulfanyl-4-(trifluoromethyl)pyridine-3-carboxamide is CCSc1cc(C(F)(F)F)c(C(=O)Nc2ccc(Cl)cc2)cn1.
What is the InChIKey of N-(4-chlorophenyl)-6-ethylsulfanyl-4-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is VDNYFPDHQOLCFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF3N2OS/c1-2-23-13-7-12(15(17,18)19)11(8-20-13)14(22)21-10-5-3-9(16)4-6-10/h3-8H,2H2,1H3,(H,21,22).
What are the key properties of N-(4-chlorophenyl)-6-ethylsulfanyl-4-(trifluoromethyl)pyridine-3-carboxamide?
N-(4-chlorophenyl)-6-ethylsulfanyl-4-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 360.79 g/mol, XLogP of 5.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-6-ethylsulfanyl-4-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 2727022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).