2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanyl-N-(2-nitrophenyl)acetamide

C18H13FN4O3S — CID 7672457

IUPAC2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanyl-N-(2-nitrophenyl)acetamide
SMILESO=C(CSc1ccc(-c2ccc(F)cc2)nn1)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C18H13FN4O3S/c19-13-7-5-12(6-8-13)14-9-10-18(22-21-14)27-11-17(24)20-15-3-1-2-4-16(15)23(25)26/h1-10H,11H2,(H,20,24)
InChIKeyCJWXVQJKWMSDIJ-UHFFFAOYSA-N
MW384.39 g/mol
LogP3.92
Rot. Bonds6

About 2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanyl-N-(2-nitrophenyl)acetamide

2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanyl-N-(2-nitrophenyl)acetamide (PubChem CID 7672457) has the molecular formula C18H13FN4O3S and a molecular weight of 384.39 g/mol. Its IUPAC name is 2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanyl-N-(2-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanyl-N-(2-nitrophenyl)acetamide
PubChem CID7672457
Molecular FormulaC18H13FN4O3S
Molecular Weight384.39 g/mol
Exact Mass384.07
IUPAC Name2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanyl-N-(2-nitrophenyl)acetamide
SMILESO=C(CSc1ccc(-c2ccc(F)cc2)nn1)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C18H13FN4O3S/c19-13-7-5-12(6-8-13)14-9-10-18(22-21-14)27-11-17(24)20-15-3-1-2-4-16(15)23(25)26/h1-10H,11H2,(H,20,24)
InChIKeyCJWXVQJKWMSDIJ-UHFFFAOYSA-N
XLogP3.92
TPSA98.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]sulfanyl-N-(2-nitrophenyl)acetamide
CID 7672479
2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-N-(2-nitrophenyl)acetamide
CID 7688111
N-(2-nitrophenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide
CID 7688093
N-(2-methoxyphenyl)-2-[6-(4-nitrophenyl)pyridazin-3-yl]sulfanylacetamide
CID 7672535
N-(2,3-dimethylphenyl)-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide
CID 8542992
N-(4-fluorophenyl)-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide
CID 7502831
N-(4-fluoro-3-nitrophenyl)-2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 43936697
ethyl 2-[[2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetyl]amino]benzoate
CID 8543081
1-(4-fluorophenyl)-2-[6-(4-nitrophenyl)pyridazin-3-yl]sulfanylethanone
CID 8699383
N-(3,4-difluorophenyl)-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide
CID 7206206
N-(3-nitrophenyl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide
CID 7502592
N-(2-methylphenyl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 7519599

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanyl-N-(2-nitrophenyl)acetamide?
The IUPAC name of 2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanyl-N-(2-nitrophenyl)acetamide (CID 7672457) is 2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanyl-N-(2-nitrophenyl)acetamide.
What is the SMILES notation for 2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanyl-N-(2-nitrophenyl)acetamide?
The canonical SMILES for 2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanyl-N-(2-nitrophenyl)acetamide is O=C(CSc1ccc(-c2ccc(F)cc2)nn1)Nc1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanyl-N-(2-nitrophenyl)acetamide?
The InChIKey is CJWXVQJKWMSDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN4O3S/c19-13-7-5-12(6-8-13)14-9-10-18(22-21-14)27-11-17(24)20-15-3-1-2-4-16(15)23(25)26/h1-10H,11H2,(H,20,24).
What are the key properties of 2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanyl-N-(2-nitrophenyl)acetamide?
2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanyl-N-(2-nitrophenyl)acetamide has a molecular weight of 384.39 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanyl-N-(2-nitrophenyl)acetamide is sourced from PubChem (CID 7672457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).