N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-4-fluorobenzamide

C19H16FN3O3S — CID 18567798

IUPACN-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-4-fluorobenzamide
SMILESCCS(=O)(=O)c1ccc(-c2cccc(NC(=O)c3ccc(F)cc3)c2)nn1
InChIInChI=1S/C19H16FN3O3S/c1-2-27(25,26)18-11-10-17(22-23-18)14-4-3-5-16(12-14)21-19(24)13-6-8-15(20)9-7-13/h3-12H,2H2,1H3,(H,21,24)
InChIKeySKDZFEOJARBXKN-UHFFFAOYSA-N
MW385.42 g/mol
LogP3.33
Rot. Bonds5

About N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-4-fluorobenzamide

N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-4-fluorobenzamide (PubChem CID 18567798) has the molecular formula C19H16FN3O3S and a molecular weight of 385.42 g/mol. Its IUPAC name is N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-4-fluorobenzamide
PubChem CID18567798
Molecular FormulaC19H16FN3O3S
Molecular Weight385.42 g/mol
Exact Mass385.09
IUPAC NameN-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-4-fluorobenzamide
SMILESCCS(=O)(=O)c1ccc(-c2cccc(NC(=O)c3ccc(F)cc3)c2)nn1
InChIInChI=1S/C19H16FN3O3S/c1-2-27(25,26)18-11-10-17(22-23-18)14-4-3-5-16(12-14)21-19(24)13-6-8-15(20)9-7-13/h3-12H,2H2,1H3,(H,21,24)
InChIKeySKDZFEOJARBXKN-UHFFFAOYSA-N
XLogP3.33
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 ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-3,4-dimethylbenzamide
CID 26841794
N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]-4-phenylbenzamide
CID 41213169
4-fluoro-N-[3-(6-methoxypyridazin-3-yl)phenyl]benzamide
CID 7422514
2-bromo-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]benzamide
CID 26841808
5-bromo-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]furan-2-carboxamide
CID 18567813
2-ethoxy-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]pyridine-3-carboxamide
CID 41213037
4-fluoro-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzamide
CID 7593222
4-(dimethylamino)-N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]benzamide
CID 41159990
2-(3,4-dimethoxyphenyl)-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]acetamide
CID 41213020
N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]-3,4-dimethoxybenzamide
CID 41213117
2,2,2-trifluoro-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]acetamide
CID 18567784
4-fluoro-N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
CID 7532465

Frequently Asked Questions

What is the IUPAC name of N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-4-fluorobenzamide?
The IUPAC name of N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-4-fluorobenzamide (CID 18567798) is N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-4-fluorobenzamide.
What is the SMILES notation for N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-4-fluorobenzamide?
The canonical SMILES for N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-4-fluorobenzamide is CCS(=O)(=O)c1ccc(-c2cccc(NC(=O)c3ccc(F)cc3)c2)nn1.
What is the InChIKey of N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-4-fluorobenzamide?
The InChIKey is SKDZFEOJARBXKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O3S/c1-2-27(25,26)18-11-10-17(22-23-18)14-4-3-5-16(12-14)21-19(24)13-6-8-15(20)9-7-13/h3-12H,2H2,1H3,(H,21,24).
What are the key properties of N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-4-fluorobenzamide?
N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-4-fluorobenzamide has a molecular weight of 385.42 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-4-fluorobenzamide is sourced from PubChem (CID 18567798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).