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

C21H21N3O3S — CID 26841794

IUPACN-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-3,4-dimethylbenzamide
SMILESCCS(=O)(=O)c1ccc(-c2cccc(NC(=O)c3ccc(C)c(C)c3)c2)nn1
InChIInChI=1S/C21H21N3O3S/c1-4-28(26,27)20-11-10-19(23-24-20)16-6-5-7-18(13-16)22-21(25)17-9-8-14(2)15(3)12-17/h5-13H,4H2,1-3H3,(H,22,25)
InChIKeyCLIVDPOIPQDZPU-UHFFFAOYSA-N
MW395.48 g/mol
LogP3.81
Rot. Bonds5

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

N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-3,4-dimethylbenzamide (PubChem CID 26841794) has the molecular formula C21H21N3O3S and a molecular weight of 395.48 g/mol. Its IUPAC name is N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-3,4-dimethylbenzamide
PubChem CID26841794
Molecular FormulaC21H21N3O3S
Molecular Weight395.48 g/mol
Exact Mass395.13
IUPAC NameN-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-3,4-dimethylbenzamide
SMILESCCS(=O)(=O)c1ccc(-c2cccc(NC(=O)c3ccc(C)c(C)c3)c2)nn1
InChIInChI=1S/C21H21N3O3S/c1-4-28(26,27)20-11-10-19(23-24-20)16-6-5-7-18(13-16)22-21(25)17-9-8-14(2)15(3)12-17/h5-13H,4H2,1-3H3,(H,22,25)
InChIKeyCLIVDPOIPQDZPU-UHFFFAOYSA-N
XLogP3.81
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-4-fluorobenzamide
CID 18567798
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
N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]-4-phenylbenzamide
CID 41213169
N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]-3,4-dimethoxybenzamide
CID 41213117
N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-2,5-dimethylbenzenesulfonamide
CID 41159293
2-(3,4-dimethoxyphenyl)-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]acetamide
CID 41213020
N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]-3-nitrobenzamide
CID 26841756
N-[3-(6-ethoxypyridazin-3-yl)phenyl]-4-methyl-3-nitrobenzamide
CID 7593622
N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-4-phenylbenzenesulfonamide
CID 41159266
2-ethoxy-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]pyridine-3-carboxamide
CID 16799435

Frequently Asked Questions

What is the IUPAC name of N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-3,4-dimethylbenzamide?
The IUPAC name of N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-3,4-dimethylbenzamide (CID 26841794) is N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-3,4-dimethylbenzamide.
What is the SMILES notation for N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-3,4-dimethylbenzamide?
The canonical SMILES for N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-3,4-dimethylbenzamide is CCS(=O)(=O)c1ccc(-c2cccc(NC(=O)c3ccc(C)c(C)c3)c2)nn1.
What is the InChIKey of N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-3,4-dimethylbenzamide?
The InChIKey is CLIVDPOIPQDZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3S/c1-4-28(26,27)20-11-10-19(23-24-20)16-6-5-7-18(13-16)22-21(25)17-9-8-14(2)15(3)12-17/h5-13H,4H2,1-3H3,(H,22,25).
What are the key properties of N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-3,4-dimethylbenzamide?
N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-3,4-dimethylbenzamide has a molecular weight of 395.48 g/mol, XLogP of 3.81, 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]-3,4-dimethylbenzamide is sourced from PubChem (CID 26841794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).