2,4-dichloro-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]benzamide

C15H11Cl2F3N2O3S — CID 45104343

IUPAC2,4-dichloro-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]benzamide
SMILESO=C(NCCS(=O)(=O)c1ccc(C(F)(F)F)cn1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H11Cl2F3N2O3S/c16-10-2-3-11(12(17)7-10)14(23)21-5-6-26(24,25)13-4-1-9(8-22-13)15(18,19)20/h1-4,7-8H,5-6H2,(H,21,23)
InChIKeyOAGYFZOVBMHMGA-UHFFFAOYSA-N
MW427.23 g/mol
LogP3.61
Rot. Bonds5

About 2,4-dichloro-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]benzamide

2,4-dichloro-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]benzamide (PubChem CID 45104343) has the molecular formula C15H11Cl2F3N2O3S and a molecular weight of 427.23 g/mol. Its IUPAC name is 2,4-dichloro-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]benzamide
PubChem CID45104343
Molecular FormulaC15H11Cl2F3N2O3S
Molecular Weight427.23 g/mol
Exact Mass425.98
IUPAC Name2,4-dichloro-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]benzamide
SMILESO=C(NCCS(=O)(=O)c1ccc(C(F)(F)F)cn1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H11Cl2F3N2O3S/c16-10-2-3-11(12(17)7-10)14(23)21-5-6-26(24,25)13-4-1-9(8-22-13)15(18,19)20/h1-4,7-8H,5-6H2,(H,21,23)
InChIKeyOAGYFZOVBMHMGA-UHFFFAOYSA-N
XLogP3.61
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.23
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Gsk3787
CID 2800647
(3-Chloro-4-fluorophenyl)-[4-fluoro-4-[(2-pyridin-2-ylsulfanylethylamino)methyl]piperidin-1-yl]methanone
CID 132257069
N-{2-[(2-chlorophenyl)sulfanyl]ethyl}-2-methyl-2-{[5-(trifluoromethyl)pyridin-2-yl]sulfonyl}propanamide
CID 57388872
2,4-dichloro-N-((1-(propylsulfonyl)-4-(pyridin-3-yl)piperidin-4-yl)methyl)benzamide
CID 44564673
2,4-dichloro-N-((1-(propylsulfonyl)-4-(pyridin-4-yl)piperidin-4-yl)methyl)benzamide
CID 44564674
4-phenyl-N-[2-[5-(trifluoromethyl)pyridin-2-yl]sulfonylethyl]benzamide
CID 45104340
4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(2-pyridin-2-ylsulfanylethyl)benzamide
CID 2240335
2,4-dichloro-N-[2-(2-pyridinylthio)ethyl]benzamide
CID 2284724
4-chloro-N-(2-pyridin-2-ylsulfanylethyl)benzamide
CID 3117810
4-cyclohexyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]benzamide
CID 45104341
4-(2-methylpropyl)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]benzamide
CID 45104342
3-bromo-4-chloro-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]benzamide
CID 45104439

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]benzamide (CID 45104343) is 2,4-dichloro-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]benzamide is O=C(NCCS(=O)(=O)c1ccc(C(F)(F)F)cn1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]benzamide?
The InChIKey is OAGYFZOVBMHMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2F3N2O3S/c16-10-2-3-11(12(17)7-10)14(23)21-5-6-26(24,25)13-4-1-9(8-22-13)15(18,19)20/h1-4,7-8H,5-6H2,(H,21,23).
What are the key properties of 2,4-dichloro-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]benzamide?
2,4-dichloro-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]benzamide has a molecular weight of 427.23 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]benzamide is sourced from PubChem (CID 45104343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).