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

C25H21N3O3S — CID 41213169

IUPACN-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]-4-phenylbenzamide
SMILESCCS(=O)(=O)c1ccc(-c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2)nn1
InChIInChI=1S/C25H21N3O3S/c1-2-32(30,31)24-17-16-23(27-28-24)20-12-14-22(15-13-20)26-25(29)21-10-8-19(9-11-21)18-6-4-3-5-7-18/h3-17H,2H2,1H3,(H,26,29)
InChIKeyQTHYUEYSSMVJMF-UHFFFAOYSA-N
MW443.53 g/mol
LogP4.86
Rot. Bonds6

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

N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]-4-phenylbenzamide (PubChem CID 41213169) has the molecular formula C25H21N3O3S and a molecular weight of 443.53 g/mol. Its IUPAC name is N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]-4-phenylbenzamide
PubChem CID41213169
Molecular FormulaC25H21N3O3S
Molecular Weight443.53 g/mol
Exact Mass443.13
IUPAC NameN-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]-4-phenylbenzamide
SMILESCCS(=O)(=O)c1ccc(-c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2)nn1
InChIInChI=1S/C25H21N3O3S/c1-2-32(30,31)24-17-16-23(27-28-24)20-12-14-22(15-13-20)26-25(29)21-10-8-19(9-11-21)18-6-4-3-5-7-18/h3-17H,2H2,1H3,(H,26,29)
InChIKeyQTHYUEYSSMVJMF-UHFFFAOYSA-N
XLogP4.86
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.53
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(dimethylamino)-N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]benzamide
CID 41159990
2-chloro-N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]benzamide
CID 41213122
N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]-3,4-dimethoxybenzamide
CID 41213117
N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-4-fluorobenzamide
CID 18567798
N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-3,4-dimethylbenzamide
CID 26841794
N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]cyclohexanecarboxamide
CID 18567835
2-bromo-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]benzamide
CID 26841808
N-[4-(ethylsulfamoyl)phenyl]-4-phenylbenzamide
CID 1249984
4-methylsulfonyl-N-(4-phenylphenyl)benzamide
CID 7998967
N-[4-(4-phenylphenyl)phenyl]benzamide
CID 59742294
N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]-4-phenylbenzamide
CID 2162899
N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-phenylbenzamide
CID 43992160

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]-4-phenylbenzamide?
The IUPAC name of N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]-4-phenylbenzamide (CID 41213169) is N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]-4-phenylbenzamide.
What is the SMILES notation for N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]-4-phenylbenzamide?
The canonical SMILES for N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]-4-phenylbenzamide is CCS(=O)(=O)c1ccc(-c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2)nn1.
What is the InChIKey of N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]-4-phenylbenzamide?
The InChIKey is QTHYUEYSSMVJMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O3S/c1-2-32(30,31)24-17-16-23(27-28-24)20-12-14-22(15-13-20)26-25(29)21-10-8-19(9-11-21)18-6-4-3-5-7-18/h3-17H,2H2,1H3,(H,26,29).
What are the key properties of N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]-4-phenylbenzamide?
N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]-4-phenylbenzamide has a molecular weight of 443.53 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]-4-phenylbenzamide is sourced from PubChem (CID 41213169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).