N-(3-chloro-4-fluorophenyl)-2-(6-naphthalen-2-ylpyridazin-3-yl)sulfanylacetamide

C22H15ClFN3OS — CID 43936813

IUPACN-(3-chloro-4-fluorophenyl)-2-(6-naphthalen-2-ylpyridazin-3-yl)sulfanylacetamide
SMILESO=C(CSc1ccc(-c2ccc3ccccc3c2)nn1)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C22H15ClFN3OS/c23-18-12-17(7-8-19(18)24)25-21(28)13-29-22-10-9-20(26-27-22)16-6-5-14-3-1-2-4-15(14)11-16/h1-12H,13H2,(H,25,28)
InChIKeySITHYXPIDNBLQL-UHFFFAOYSA-N
MW423.90 g/mol
LogP5.82
Rot. Bonds5

About N-(3-chloro-4-fluorophenyl)-2-(6-naphthalen-2-ylpyridazin-3-yl)sulfanylacetamide

N-(3-chloro-4-fluorophenyl)-2-(6-naphthalen-2-ylpyridazin-3-yl)sulfanylacetamide (PubChem CID 43936813) has the molecular formula C22H15ClFN3OS and a molecular weight of 423.90 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-(6-naphthalen-2-ylpyridazin-3-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-(6-naphthalen-2-ylpyridazin-3-yl)sulfanylacetamide
PubChem CID43936813
Molecular FormulaC22H15ClFN3OS
Molecular Weight423.90 g/mol
Exact Mass423.06
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-(6-naphthalen-2-ylpyridazin-3-yl)sulfanylacetamide
SMILESO=C(CSc1ccc(-c2ccc3ccccc3c2)nn1)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C22H15ClFN3OS/c23-18-12-17(7-8-19(18)24)25-21(28)13-29-22-10-9-20(26-27-22)16-6-5-14-3-1-2-4-15(14)11-16/h1-12H,13H2,(H,25,28)
InChIKeySITHYXPIDNBLQL-UHFFFAOYSA-N
XLogP5.82
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.90
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-difluorophenyl)-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide
CID 7206206
N-(3,5-dichlorophenyl)-2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 43936695
N-(3-fluoro-4-methylphenyl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide
CID 8541133
N-(4-fluoro-3-nitrophenyl)-2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 43936697
N-(4-fluorophenyl)-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide
CID 7502831
N-(3,4-difluorophenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide
CID 7222501
N-(4-chlorophenyl)-2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanylacetamide
CID 7502633
N-(3-chloro-4-fluorophenyl)-2-(2H-triazol-4-ylsulfanyl)acetamide
CID 6411119
2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-N-(2,5-dichlorophenyl)acetamide
CID 41376788
N-(3,4-dichlorophenyl)-2-[6-(4-piperidin-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 43936785
N-(3,4-dichlorophenyl)-2-[6-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide
CID 18562791
N-(3-fluorophenyl)-2-[6-(4-methylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 8542501

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(6-naphthalen-2-ylpyridazin-3-yl)sulfanylacetamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(6-naphthalen-2-ylpyridazin-3-yl)sulfanylacetamide (CID 43936813) is N-(3-chloro-4-fluorophenyl)-2-(6-naphthalen-2-ylpyridazin-3-yl)sulfanylacetamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-(6-naphthalen-2-ylpyridazin-3-yl)sulfanylacetamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-(6-naphthalen-2-ylpyridazin-3-yl)sulfanylacetamide is O=C(CSc1ccc(-c2ccc3ccccc3c2)nn1)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-(6-naphthalen-2-ylpyridazin-3-yl)sulfanylacetamide?
The InChIKey is SITHYXPIDNBLQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClFN3OS/c23-18-12-17(7-8-19(18)24)25-21(28)13-29-22-10-9-20(26-27-22)16-6-5-14-3-1-2-4-15(14)11-16/h1-12H,13H2,(H,25,28).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-(6-naphthalen-2-ylpyridazin-3-yl)sulfanylacetamide?
N-(3-chloro-4-fluorophenyl)-2-(6-naphthalen-2-ylpyridazin-3-yl)sulfanylacetamide has a molecular weight of 423.90 g/mol, XLogP of 5.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-(6-naphthalen-2-ylpyridazin-3-yl)sulfanylacetamide is sourced from PubChem (CID 43936813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).