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

C21H22N4O3S — CID 41159990

IUPAC4-(dimethylamino)-N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]benzamide
SMILESCCS(=O)(=O)c1ccc(-c2ccc(NC(=O)c3ccc(N(C)C)cc3)cc2)nn1
InChIInChI=1S/C21H22N4O3S/c1-4-29(27,28)20-14-13-19(23-24-20)15-5-9-17(10-6-15)22-21(26)16-7-11-18(12-8-16)25(2)3/h5-14H,4H2,1-3H3,(H,22,26)
InChIKeyKWRJOIBYEUEQOG-UHFFFAOYSA-N
MW410.50 g/mol
LogP3.26
Rot. Bonds6

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

4-(dimethylamino)-N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]benzamide (PubChem CID 41159990) has the molecular formula C21H22N4O3S and a molecular weight of 410.50 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]benzamide
PubChem CID41159990
Molecular FormulaC21H22N4O3S
Molecular Weight410.50 g/mol
Exact Mass410.14
IUPAC Name4-(dimethylamino)-N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]benzamide
SMILESCCS(=O)(=O)c1ccc(-c2ccc(NC(=O)c3ccc(N(C)C)cc3)cc2)nn1
InChIInChI=1S/C21H22N4O3S/c1-4-29(27,28)20-14-13-19(23-24-20)15-5-9-17(10-6-15)22-21(26)16-7-11-18(12-8-16)25(2)3/h5-14H,4H2,1-3H3,(H,22,26)
InChIKeyKWRJOIBYEUEQOG-UHFFFAOYSA-N
XLogP3.26
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]-4-phenylbenzamide
CID 41213169
N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]-3,4-dimethoxybenzamide
CID 41213117
2-chloro-N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]benzamide
CID 41213122
N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-4-fluorobenzamide
CID 18567798
4-(dimethylamino)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108727305
4-(dimethylamino)-N-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]benzamide
CID 41247489
N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-3,4-dimethylbenzamide
CID 26841794
4-(dimethylamino)-N-(4-iodophenyl)benzamide
CID 590767
N-(4-acetamidophenyl)-4-(dimethylamino)benzamide
CID 669679
1-N-[4-(dimethylamino)phenyl]-4-N-(2-ethylphenyl)benzene-1,4-dicarboxamide
CID 109049739
N-[4-(dimethylamino)phenyl]-4-(dimethylsulfamoyl)benzamide
CID 110756571
3-cyclohexyl-N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]propanamide
CID 18567874

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]benzamide?
The IUPAC name of 4-(dimethylamino)-N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]benzamide (CID 41159990) is 4-(dimethylamino)-N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]benzamide.
What is the SMILES notation for 4-(dimethylamino)-N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]benzamide?
The canonical SMILES for 4-(dimethylamino)-N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]benzamide is CCS(=O)(=O)c1ccc(-c2ccc(NC(=O)c3ccc(N(C)C)cc3)cc2)nn1.
What is the InChIKey of 4-(dimethylamino)-N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]benzamide?
The InChIKey is KWRJOIBYEUEQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3S/c1-4-29(27,28)20-14-13-19(23-24-20)15-5-9-17(10-6-15)22-21(26)16-7-11-18(12-8-16)25(2)3/h5-14H,4H2,1-3H3,(H,22,26).
What are the key properties of 4-(dimethylamino)-N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]benzamide?
4-(dimethylamino)-N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]benzamide has a molecular weight of 410.50 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]benzamide is sourced from PubChem (CID 41159990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).