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

C21H21N3O5S — CID 41213117

IUPACN-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]-3,4-dimethoxybenzamide
SMILESCCS(=O)(=O)c1ccc(-c2ccc(NC(=O)c3ccc(OC)c(OC)c3)cc2)nn1
InChIInChI=1S/C21H21N3O5S/c1-4-30(26,27)20-12-10-17(23-24-20)14-5-8-16(9-6-14)22-21(25)15-7-11-18(28-2)19(13-15)29-3/h5-13H,4H2,1-3H3,(H,22,25)
InChIKeyJJLLWOSBLNLPEV-UHFFFAOYSA-N
MW427.48 g/mol
LogP3.21
Rot. Bonds7

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

N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]-3,4-dimethoxybenzamide (PubChem CID 41213117) has the molecular formula C21H21N3O5S and a molecular weight of 427.48 g/mol. Its IUPAC name is N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]-3,4-dimethoxybenzamide
PubChem CID41213117
Molecular FormulaC21H21N3O5S
Molecular Weight427.48 g/mol
Exact Mass427.12
IUPAC NameN-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]-3,4-dimethoxybenzamide
SMILESCCS(=O)(=O)c1ccc(-c2ccc(NC(=O)c3ccc(OC)c(OC)c3)cc2)nn1
InChIInChI=1S/C21H21N3O5S/c1-4-30(26,27)20-12-10-17(23-24-20)14-5-8-16(9-6-14)22-21(25)15-7-11-18(28-2)19(13-15)29-3/h5-13H,4H2,1-3H3,(H,22,25)
InChIKeyJJLLWOSBLNLPEV-UHFFFAOYSA-N
XLogP3.21
TPSA107.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.48
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]-4-phenylbenzamide
CID 41213169
N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-3,4-dimethylbenzamide
CID 26841794
3,4-diethoxy-N-[4-(6-ethoxypyridazin-3-yl)phenyl]benzamide
CID 7596485
N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3,4-dimethoxybenzamide
CID 23102404
N-(4-bromophenyl)-3,4-dimethoxybenzamide
CID 855033
4-ethoxy-N-[4-(6-methoxypyridazin-3-yl)phenyl]benzamide
CID 7593586
N-[4-(6-ethoxypyridazin-3-yl)phenyl]-3,4,5-trimethoxybenzamide
CID 7593667
N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]-3-fluoro-4-methoxybenzenesulfonamide
CID 41159369
N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-4-fluorobenzamide
CID 18567798
8-ethoxy-N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]-2-oxochromene-3-carboxamide
CID 41213186
4-ethoxy-3-methoxy-N-(4-phenylphenyl)benzamide
CID 8880847
3,4-dimethoxy-N-(4-methoxy-3-methylphenyl)benzamide
CID 110776412

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]-3,4-dimethoxybenzamide (CID 41213117) is N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]-3,4-dimethoxybenzamide is CCS(=O)(=O)c1ccc(-c2ccc(NC(=O)c3ccc(OC)c(OC)c3)cc2)nn1.
What is the InChIKey of N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]-3,4-dimethoxybenzamide?
The InChIKey is JJLLWOSBLNLPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O5S/c1-4-30(26,27)20-12-10-17(23-24-20)14-5-8-16(9-6-14)22-21(25)15-7-11-18(28-2)19(13-15)29-3/h5-13H,4H2,1-3H3,(H,22,25).
What are the key properties of N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]-3,4-dimethoxybenzamide?
N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]-3,4-dimethoxybenzamide has a molecular weight of 427.48 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 41213117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).