2-[2-(benzenesulfonyl)ethylsulfanyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide

C22H19F3N2O3S2 — CID 25222085

IUPAC2-[2-(benzenesulfonyl)ethylsulfanyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
SMILESO=C(NCc1cccc(C(F)(F)F)c1)c1cccnc1SCCS(=O)(=O)c1ccccc1
InChIInChI=1S/C22H19F3N2O3S2/c23-22(24,25)17-7-4-6-16(14-17)15-27-20(28)19-10-5-11-26-21(19)31-12-13-32(29,30)18-8-2-1-3-9-18/h1-11,14H,12-13,15H2,(H,27,28)
InChIKeyFCZNURWMEMMMQK-UHFFFAOYSA-N
MW480.53 g/mol
LogP4.60
Rot. Bonds8

About 2-[2-(benzenesulfonyl)ethylsulfanyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide

2-[2-(benzenesulfonyl)ethylsulfanyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide (PubChem CID 25222085) has the molecular formula C22H19F3N2O3S2 and a molecular weight of 480.53 g/mol. Its IUPAC name is 2-[2-(benzenesulfonyl)ethylsulfanyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[2-(benzenesulfonyl)ethylsulfanyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
PubChem CID25222085
Molecular FormulaC22H19F3N2O3S2
Molecular Weight480.53 g/mol
Exact Mass480.08
IUPAC Name2-[2-(benzenesulfonyl)ethylsulfanyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
SMILESO=C(NCc1cccc(C(F)(F)F)c1)c1cccnc1SCCS(=O)(=O)c1ccccc1
InChIInChI=1S/C22H19F3N2O3S2/c23-22(24,25)17-7-4-6-16(14-17)15-27-20(28)19-10-5-11-26-21(19)31-12-13-32(29,30)18-8-2-1-3-9-18/h1-11,14H,12-13,15H2,(H,27,28)
InChIKeyFCZNURWMEMMMQK-UHFFFAOYSA-N
XLogP4.60
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.53
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[2-(benzenesulfonyl)ethylsulfanyl]-N-[[3-(trifluoromethyl)phenyl]methyl]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

N-(3,3-dimethylbutyl)-2-[2-[3-(trifluoromethyl)phenyl]sulfonylethylsulfanyl]pyridine-3-carboxamide
CID 68729049
2-[2-(benzenesulfonyl)ethylsulfanyl]-N-[(3,5-dimethoxyphenyl)methyl]pyridine-3-carboxamide
CID 25220963
2-[2-(benzenesulfonyl)ethylsulfanyl]-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)pyridine-3-carboxamide
CID 25222082
2-[2-(benzenesulfonyl)ethylsulfanyl]-N-(cyclopropylmethyl)pyridine-3-carboxamide
CID 25221972
2-[2-(benzenesulfonyl)ethylsulfanyl]-N-[2-(4-bromophenyl)ethyl]pyridine-3-carboxamide
CID 91053881
2-(3-hydroxyphenyl)-N-[2-[2-[3-(trifluoromethyl)phenyl]sulfonylethylsulfanyl]-3-pyridinyl]acetamide
CID 46917666
2-[2-(benzenesulfonyl)ethylsulfanyl]-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 68729638
N-[2-[2-[3-(trifluoromethyl)phenyl]sulfonylethylsulfanyl]-3-pyridinyl]propanamide
CID 154077259
2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 68728428
2-naphthalen-2-yl-N-[2-[2-[3-(trifluoromethyl)phenyl]sulfonylethylsulfanyl]-3-pyridinyl]acetamide
CID 46917585
4-fluoro-2-hydroxy-N-[2-[2-[3-(trifluoromethyl)phenyl]sulfonylethylsulfanyl]-3-pyridinyl]benzamide
CID 46917821
N-(thiophen-2-ylmethyl)-2-[2-[[5-(2,2,2-trifluoroethyl)-2-pyridinyl]sulfonyl]ethylsulfanyl]pyridine-3-carboxamide
CID 68944878

Frequently Asked Questions

What is the IUPAC name of 2-[2-(benzenesulfonyl)ethylsulfanyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of 2-[2-(benzenesulfonyl)ethylsulfanyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide (CID 25222085) is 2-[2-(benzenesulfonyl)ethylsulfanyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-[2-(benzenesulfonyl)ethylsulfanyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-[2-(benzenesulfonyl)ethylsulfanyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide is O=C(NCc1cccc(C(F)(F)F)c1)c1cccnc1SCCS(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[2-(benzenesulfonyl)ethylsulfanyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is FCZNURWMEMMMQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N2O3S2/c23-22(24,25)17-7-4-6-16(14-17)15-27-20(28)19-10-5-11-26-21(19)31-12-13-32(29,30)18-8-2-1-3-9-18/h1-11,14H,12-13,15H2,(H,27,28).
What are the key properties of 2-[2-(benzenesulfonyl)ethylsulfanyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide?
2-[2-(benzenesulfonyl)ethylsulfanyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 480.53 g/mol, XLogP of 4.60, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(benzenesulfonyl)ethylsulfanyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 25222085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).