2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide

C19H12Cl2F3N3OS — CID 43936682

IUPAC2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CSc1ccc(-c2ccc(Cl)cc2)nn1)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C19H12Cl2F3N3OS/c20-13-4-1-11(2-5-13)15-7-8-18(27-26-15)29-10-17(28)25-16-9-12(19(22,23)24)3-6-14(16)21/h1-9H,10H2,(H,25,28)
InChIKeyKGHFOFWGNKSZRB-UHFFFAOYSA-N
MW458.29 g/mol
LogP6.20
Rot. Bonds5

About 2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide

2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide (PubChem CID 43936682) has the molecular formula C19H12Cl2F3N3OS and a molecular weight of 458.29 g/mol. Its IUPAC name is 2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
PubChem CID43936682
Molecular FormulaC19H12Cl2F3N3OS
Molecular Weight458.29 g/mol
Exact Mass457.00
IUPAC Name2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CSc1ccc(-c2ccc(Cl)cc2)nn1)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C19H12Cl2F3N3OS/c20-13-4-1-11(2-5-13)15-7-8-18(27-26-15)29-10-17(28)25-16-9-12(19(22,23)24)3-6-14(16)21/h1-9H,10H2,(H,25,28)
InChIKeyKGHFOFWGNKSZRB-UHFFFAOYSA-N
XLogP6.20
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.29
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-N-(2,5-dichlorophenyl)acetamide
CID 41376788
2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-N-[2-methoxy-5-(trifluoromethyl)phenyl]acetamide
CID 41376785
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(6-pyrazol-1-ylpyridazin-3-yl)sulfanylacetamide
CID 56766242
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[6-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide
CID 43957505
2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 1295623
N-(2,5-dichlorophenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide
CID 7688153
N-[3,5-bis(trifluoromethyl)phenyl]-2-(6-pyridin-4-ylpyridazin-3-yl)sulfanylacetamide
CID 41084935
N-[3,5-bis(trifluoromethyl)phenyl]-2-[6-(4-ethylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 43936710
2-[2-(4-chlorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 16956485
N-[3,5-bis(trifluoromethyl)phenyl]-2-[6-(3,4-dimethylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 43936729
N-(3,5-dichlorophenyl)-2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 43936695
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 2207657

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide (CID 43936682) is 2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide is O=C(CSc1ccc(-c2ccc(Cl)cc2)nn1)Nc1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of 2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide?
The InChIKey is KGHFOFWGNKSZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl2F3N3OS/c20-13-4-1-11(2-5-13)15-7-8-18(27-26-15)29-10-17(28)25-16-9-12(19(22,23)24)3-6-14(16)21/h1-9H,10H2,(H,25,28).
What are the key properties of 2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide?
2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide has a molecular weight of 458.29 g/mol, XLogP of 6.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 43936682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).