N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(6-pyrazol-1-ylpyridazin-3-yl)sulfanylacetamide

C16H11ClF3N5OS — CID 56766242

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-2-(6-pyrazol-1-ylpyridazin-3-yl)sulfanylacetamide
SMILESO=C(CSc1ccc(-n2cccn2)nn1)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C16H11ClF3N5OS/c17-11-3-2-10(16(18,19)20)8-12(11)22-14(26)9-27-15-5-4-13(23-24-15)25-7-1-6-21-25/h1-8H,9H2,(H,22,26)
InChIKeyIDVCRUGUIXAZLX-UHFFFAOYSA-N
MW413.81 g/mol
LogP4.07
Rot. Bonds5

About N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(6-pyrazol-1-ylpyridazin-3-yl)sulfanylacetamide

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(6-pyrazol-1-ylpyridazin-3-yl)sulfanylacetamide (PubChem CID 56766242) has the molecular formula C16H11ClF3N5OS and a molecular weight of 413.81 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(6-pyrazol-1-ylpyridazin-3-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-(6-pyrazol-1-ylpyridazin-3-yl)sulfanylacetamide
PubChem CID56766242
Molecular FormulaC16H11ClF3N5OS
Molecular Weight413.81 g/mol
Exact Mass413.03
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-(6-pyrazol-1-ylpyridazin-3-yl)sulfanylacetamide
SMILESO=C(CSc1ccc(-n2cccn2)nn1)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C16H11ClF3N5OS/c17-11-3-2-10(16(18,19)20)8-12(11)22-14(26)9-27-15-5-4-13(23-24-15)25-7-1-6-21-25/h1-8H,9H2,(H,22,26)
InChIKeyIDVCRUGUIXAZLX-UHFFFAOYSA-N
XLogP4.07
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.81
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 43936682
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(1-phenylimidazol-2-yl)sulfanylacetamide
CID 5183580
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 18205272
N,N'-bis[2-chloro-5-(trifluoromethyl)phenyl]nonanediamide
CID 54787319
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-naphthalen-2-ylsulfanylacetamide
CID 7402973
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 2207657
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(3-cyano-2-pyridinyl)sulfanyl]acetamide
CID 17186377
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 16896870
N-[2-methoxy-5-(trifluoromethyl)phenyl]-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide
CID 90517349
3-[(3,4-dichlorophenyl)methylsulfanyl]-6-pyrazol-1-ylpyridazine
CID 121031313
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[6-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide
CID 43957505
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 3581742

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(6-pyrazol-1-ylpyridazin-3-yl)sulfanylacetamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(6-pyrazol-1-ylpyridazin-3-yl)sulfanylacetamide (CID 56766242) is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(6-pyrazol-1-ylpyridazin-3-yl)sulfanylacetamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(6-pyrazol-1-ylpyridazin-3-yl)sulfanylacetamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(6-pyrazol-1-ylpyridazin-3-yl)sulfanylacetamide is O=C(CSc1ccc(-n2cccn2)nn1)Nc1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(6-pyrazol-1-ylpyridazin-3-yl)sulfanylacetamide?
The InChIKey is IDVCRUGUIXAZLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF3N5OS/c17-11-3-2-10(16(18,19)20)8-12(11)22-14(26)9-27-15-5-4-13(23-24-15)25-7-1-6-21-25/h1-8H,9H2,(H,22,26).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(6-pyrazol-1-ylpyridazin-3-yl)sulfanylacetamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(6-pyrazol-1-ylpyridazin-3-yl)sulfanylacetamide has a molecular weight of 413.81 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(6-pyrazol-1-ylpyridazin-3-yl)sulfanylacetamide is sourced from PubChem (CID 56766242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).