N-(4-fluorophenyl)-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide

C18H13F2N3OS — CID 7502831

IUPACN-(4-fluorophenyl)-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide
SMILESO=C(CSc1ccc(-c2ccc(F)cc2)nn1)Nc1ccc(F)cc1
InChIInChI=1S/C18H13F2N3OS/c19-13-3-1-12(2-4-13)16-9-10-18(23-22-16)25-11-17(24)21-15-7-5-14(20)6-8-15/h1-10H,11H2,(H,21,24)
InChIKeyVNRVHTFNFQQWQY-UHFFFAOYSA-N
MW357.39 g/mol
LogP4.15
Rot. Bonds5

About N-(4-fluorophenyl)-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide

N-(4-fluorophenyl)-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide (PubChem CID 7502831) has the molecular formula C18H13F2N3OS and a molecular weight of 357.39 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide
PubChem CID7502831
Molecular FormulaC18H13F2N3OS
Molecular Weight357.39 g/mol
Exact Mass357.07
IUPAC NameN-(4-fluorophenyl)-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide
SMILESO=C(CSc1ccc(-c2ccc(F)cc2)nn1)Nc1ccc(F)cc1
InChIInChI=1S/C18H13F2N3OS/c19-13-3-1-12(2-4-13)16-9-10-18(23-22-16)25-11-17(24)21-15-7-5-14(20)6-8-15/h1-10H,11H2,(H,21,24)
InChIKeyVNRVHTFNFQQWQY-UHFFFAOYSA-N
XLogP4.15
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 54.15
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-fluorophenyl)-2-[6-(4-methylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 8542501
N-(2,3-dimethylphenyl)-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide
CID 8542992
2-[6-(4-bromophenyl)pyridazin-3-yl]sulfanyl-N-(4-cyanophenyl)acetamide
CID 172640950
2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanyl-N-[4-(trifluoromethyl)phenyl]acetamide
CID 16822557
N-(4-ethylphenyl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide
CID 8541081
2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanyl-N-(2-nitrophenyl)acetamide
CID 7672457
N-(3-fluoro-4-methylphenyl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide
CID 8541133
methyl 4-[[2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetyl]amino]benzoate
CID 43936617
N-(4-fluorophenyl)-2-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]sulfanylacetamide
CID 53073983
N-(4-butylphenyl)-2-[6-(4-ethylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 43936708
2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanyl-N,N-dimethylacetamide
CID 3228068

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide (CID 7502831) is N-(4-fluorophenyl)-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide is O=C(CSc1ccc(-c2ccc(F)cc2)nn1)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide?
The InChIKey is VNRVHTFNFQQWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2N3OS/c19-13-3-1-12(2-4-13)16-9-10-18(23-22-16)25-11-17(24)21-15-7-5-14(20)6-8-15/h1-10H,11H2,(H,21,24).
What are the key properties of N-(4-fluorophenyl)-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide?
N-(4-fluorophenyl)-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide has a molecular weight of 357.39 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide is sourced from PubChem (CID 7502831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).