N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-pyridin-2-ylsulfanylacetamide

C13H9ClF3N3OS — CID 2464434

IUPACN-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-pyridin-2-ylsulfanylacetamide
SMILESO=C(CSc1ccccn1)Nc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C13H9ClF3N3OS/c14-9-5-8(13(15,16)17)6-19-12(9)20-10(21)7-22-11-3-1-2-4-18-11/h1-6H,7H2,(H,19,20,21)
InChIKeyLBMGJXDJDUIKQV-UHFFFAOYSA-N
MW347.75 g/mol
LogP3.88
Rot. Bonds4

About N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-pyridin-2-ylsulfanylacetamide

N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-pyridin-2-ylsulfanylacetamide (PubChem CID 2464434) has the molecular formula C13H9ClF3N3OS and a molecular weight of 347.75 g/mol. Its IUPAC name is N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-pyridin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-pyridin-2-ylsulfanylacetamide
PubChem CID2464434
Molecular FormulaC13H9ClF3N3OS
Molecular Weight347.75 g/mol
Exact Mass347.01
IUPAC NameN-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-pyridin-2-ylsulfanylacetamide
SMILESO=C(CSc1ccccn1)Nc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C13H9ClF3N3OS/c14-9-5-8(13(15,16)17)6-19-12(9)20-10(21)7-22-11-3-1-2-4-18-11/h1-6H,7H2,(H,19,20,21)
InChIKeyLBMGJXDJDUIKQV-UHFFFAOYSA-N
XLogP3.88
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.75
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-chloro-3-[(2-pyridin-2-ylsulfanylacetyl)amino]-5-(trifluoromethyl)phenyl]-2-pyridin-2-ylsulfanylacetamide
CID 3877586
N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-phenylpropanamide
CID 4188467
[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] pyridine-2-carboxylate
CID 2376998
N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanamide
CID 143960305
N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 41237465
3-chloro-2-(pyridin-2-ylsulfanylmethyl)-5-(trifluoromethyl)pyridine
CID 2766735
N-(3,4-dichlorophenyl)-2-pyridin-2-ylsulfanylacetamide
CID 670571
N-(3,5-dibromo-2-pyridinyl)-2-pyridin-2-ylsulfanylacetamide
CID 1238973
2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetamide
CID 2452228
N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
CID 42104223
N-(5-chloro-2-pyridinyl)-2-pyridin-2-ylsulfanylacetamide
CID 3918454
N-pyridin-2-yl-2-pyridin-2-ylsulfanylacetamide
CID 687330

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-pyridin-2-ylsulfanylacetamide?
The IUPAC name of N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-pyridin-2-ylsulfanylacetamide (CID 2464434) is N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-pyridin-2-ylsulfanylacetamide.
What is the SMILES notation for N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-pyridin-2-ylsulfanylacetamide?
The canonical SMILES for N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-pyridin-2-ylsulfanylacetamide is O=C(CSc1ccccn1)Nc1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-pyridin-2-ylsulfanylacetamide?
The InChIKey is LBMGJXDJDUIKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF3N3OS/c14-9-5-8(13(15,16)17)6-19-12(9)20-10(21)7-22-11-3-1-2-4-18-11/h1-6H,7H2,(H,19,20,21).
What are the key properties of N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-pyridin-2-ylsulfanylacetamide?
N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-pyridin-2-ylsulfanylacetamide has a molecular weight of 347.75 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-pyridin-2-ylsulfanylacetamide is sourced from PubChem (CID 2464434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).