N-(3,5-dichlorophenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide

C17H12Cl2N4OS — CID 7688154

IUPACN-(3,5-dichlorophenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide
SMILESO=C(CSc1ccc(-c2cccnc2)nn1)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C17H12Cl2N4OS/c18-12-6-13(19)8-14(7-12)21-16(24)10-25-17-4-3-15(22-23-17)11-2-1-5-20-9-11/h1-9H,10H2,(H,21,24)
InChIKeyNDTVTNTWDALXCY-UHFFFAOYSA-N
MW391.28 g/mol
LogP4.58
Rot. Bonds5

About N-(3,5-dichlorophenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide

N-(3,5-dichlorophenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide (PubChem CID 7688154) has the molecular formula C17H12Cl2N4OS and a molecular weight of 391.28 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide
PubChem CID7688154
Molecular FormulaC17H12Cl2N4OS
Molecular Weight391.28 g/mol
Exact Mass390.01
IUPAC NameN-(3,5-dichlorophenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide
SMILESO=C(CSc1ccc(-c2cccnc2)nn1)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C17H12Cl2N4OS/c18-12-6-13(19)8-14(7-12)21-16(24)10-25-17-4-3-15(22-23-17)11-2-1-5-20-9-11/h1-9H,10H2,(H,21,24)
InChIKeyNDTVTNTWDALXCY-UHFFFAOYSA-N
XLogP4.58
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.28
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-dichlorophenyl)-2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 43936695
N-(2,5-dichlorophenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide
CID 7688153
N-(3,4-difluorophenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide
CID 7222501
N-(3,5-dimethylphenyl)-2-[6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide
CID 16916887
2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-N-(2,5-dichlorophenyl)acetamide
CID 41376788
N-[3,5-bis(trifluoromethyl)phenyl]-2-(6-pyridin-4-ylpyridazin-3-yl)sulfanylacetamide
CID 41084935
N-(4-fluorophenyl)-2-[6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide
CID 16916908
N-(3,5-dichlorophenyl)-2-[6-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide
CID 18562801
ethyl 4-methyl-2-[[2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetyl]amino]-1,3-thiazole-5-carboxylate
CID 7688151
N-(4-chlorophenyl)-2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanylacetamide
CID 7502633
N-(4-ethylphenyl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide
CID 8541081
N-(3-chloro-4-fluorophenyl)-2-(6-naphthalen-2-ylpyridazin-3-yl)sulfanylacetamide
CID 43936813

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide?
The IUPAC name of N-(3,5-dichlorophenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide (CID 7688154) is N-(3,5-dichlorophenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide is O=C(CSc1ccc(-c2cccnc2)nn1)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-(3,5-dichlorophenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide?
The InChIKey is NDTVTNTWDALXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N4OS/c18-12-6-13(19)8-14(7-12)21-16(24)10-25-17-4-3-15(22-23-17)11-2-1-5-20-9-11/h1-9H,10H2,(H,21,24).
What are the key properties of N-(3,5-dichlorophenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide?
N-(3,5-dichlorophenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide has a molecular weight of 391.28 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide is sourced from PubChem (CID 7688154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).