2-(4-fluorophenyl)-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]acetamide

C19H16FN3O3S — CID 41213086

IUPAC2-(4-fluorophenyl)-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]acetamide
SMILESCS(=O)(=O)c1ccc(-c2ccc(NC(=O)Cc3ccc(F)cc3)cc2)nn1
InChIInChI=1S/C19H16FN3O3S/c1-27(25,26)19-11-10-17(22-23-19)14-4-8-16(9-5-14)21-18(24)12-13-2-6-15(20)7-3-13/h2-11H,12H2,1H3,(H,21,24)
InChIKeyWQECBWGBHHYCKW-UHFFFAOYSA-N
MW385.42 g/mol
LogP2.87
Rot. Bonds5

About 2-(4-fluorophenyl)-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]acetamide

2-(4-fluorophenyl)-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]acetamide (PubChem CID 41213086) has the molecular formula C19H16FN3O3S and a molecular weight of 385.42 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]acetamide
PubChem CID41213086
Molecular FormulaC19H16FN3O3S
Molecular Weight385.42 g/mol
Exact Mass385.09
IUPAC Name2-(4-fluorophenyl)-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]acetamide
SMILESCS(=O)(=O)c1ccc(-c2ccc(NC(=O)Cc3ccc(F)cc3)cc2)nn1
InChIInChI=1S/C19H16FN3O3S/c1-27(25,26)19-11-10-17(22-23-19)14-4-8-16(9-5-14)21-18(24)12-13-2-6-15(20)7-3-13/h2-11H,12H2,1H3,(H,21,24)
InChIKeyWQECBWGBHHYCKW-UHFFFAOYSA-N
XLogP2.87
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methylphenyl)-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]acetamide
CID 41213083
2-cyclopentyl-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]acetamide
CID 20930344
4-fluoro-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide
CID 8523305
2-(4-fluorophenyl)-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]acetamide
CID 7593264
3-fluoro-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]benzamide
CID 27452337
2-(4-methoxyphenyl)-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]acetamide
CID 16799410
N-(4-fluorophenyl)-2-(4-methylphenyl)acetamide
CID 889367
N-(4-fluorophenyl)-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide
CID 7502831
N-[4-[5-(diaminomethylideneamino)pyrazin-2-yl]phenyl]-2-(4-fluorophenyl)acetamide
CID 123384692
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(4-methylphenyl)acetamide
CID 27228794
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-2-(4-methylphenyl)acetamide
CID 28580249
N-[4-(1-aminoethyl)phenyl]-2-(4-fluorophenyl)acetamide
CID 16790462

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]acetamide (CID 41213086) is 2-(4-fluorophenyl)-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]acetamide is CS(=O)(=O)c1ccc(-c2ccc(NC(=O)Cc3ccc(F)cc3)cc2)nn1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]acetamide?
The InChIKey is WQECBWGBHHYCKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O3S/c1-27(25,26)19-11-10-17(22-23-19)14-4-8-16(9-5-14)21-18(24)12-13-2-6-15(20)7-3-13/h2-11H,12H2,1H3,(H,21,24).
What are the key properties of 2-(4-fluorophenyl)-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]acetamide?
2-(4-fluorophenyl)-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]acetamide has a molecular weight of 385.42 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]acetamide is sourced from PubChem (CID 41213086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).