2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(2,5-dichlorophenyl)acetamide

C14H8Cl3F3N2OS — CID 2388407

IUPAC2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(2,5-dichlorophenyl)acetamide
SMILESO=C(CSc1ncc(C(F)(F)F)cc1Cl)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H8Cl3F3N2OS/c15-8-1-2-9(16)11(4-8)22-12(23)6-24-13-10(17)3-7(5-21-13)14(18,19)20/h1-5H,6H2,(H,22,23)
InChIKeyLRYHLDVCQGBDRN-UHFFFAOYSA-N
MW415.65 g/mol
LogP5.79
Rot. Bonds4

About 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(2,5-dichlorophenyl)acetamide

2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(2,5-dichlorophenyl)acetamide (PubChem CID 2388407) has the molecular formula C14H8Cl3F3N2OS and a molecular weight of 415.65 g/mol. Its IUPAC name is 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(2,5-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(2,5-dichlorophenyl)acetamide
PubChem CID2388407
Molecular FormulaC14H8Cl3F3N2OS
Molecular Weight415.65 g/mol
Exact Mass413.94
IUPAC Name2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(2,5-dichlorophenyl)acetamide
SMILESO=C(CSc1ncc(C(F)(F)F)cc1Cl)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H8Cl3F3N2OS/c15-8-1-2-9(16)11(4-8)22-12(23)6-24-13-10(17)3-7(5-21-13)14(18,19)20/h1-5H,6H2,(H,22,23)
InChIKeyLRYHLDVCQGBDRN-UHFFFAOYSA-N
XLogP5.79
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.65
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]amino]-4-methylbenzoate
CID 4852412
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 3300381
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-prop-2-ynylacetamide
CID 3252119
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(ethylcarbamoyl)acetamide
CID 2484296
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
CID 42899066
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide
CID 2470701
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1-(1H-pyrrol-2-yl)ethanone
CID 2100490
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(propylcarbamoyl)acetamide
CID 2484307
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(thiophen-2-ylmethyl)acetamide
CID 2484290
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(3-cyano-2-pyridinyl)sulfanyl]acetamide
CID 17186377
3-chloro-2-ethylsulfanyl-5-(trifluoromethyl)pyridine
CID 112776146
3-chloro-2-[(4-chlorophenyl)methylsulfanyl]-5-(trifluoromethyl)pyridine
CID 2744942

Frequently Asked Questions

What is the IUPAC name of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(2,5-dichlorophenyl)acetamide?
The IUPAC name of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(2,5-dichlorophenyl)acetamide (CID 2388407) is 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(2,5-dichlorophenyl)acetamide.
What is the SMILES notation for 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(2,5-dichlorophenyl)acetamide?
The canonical SMILES for 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(2,5-dichlorophenyl)acetamide is O=C(CSc1ncc(C(F)(F)F)cc1Cl)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(2,5-dichlorophenyl)acetamide?
The InChIKey is LRYHLDVCQGBDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl3F3N2OS/c15-8-1-2-9(16)11(4-8)22-12(23)6-24-13-10(17)3-7(5-21-13)14(18,19)20/h1-5H,6H2,(H,22,23).
What are the key properties of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(2,5-dichlorophenyl)acetamide?
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(2,5-dichlorophenyl)acetamide has a molecular weight of 415.65 g/mol, XLogP of 5.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(2,5-dichlorophenyl)acetamide is sourced from PubChem (CID 2388407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).