4-[3-[(E)-3-(dimethylamino)prop-2-enoyl]-4-oxopyridazin-1-yl]-N-methylbenzenesulfonamide

C16H18N4O4S — CID 59370052

IUPAC4-[3-[(E)-3-(dimethylamino)prop-2-enoyl]-4-oxopyridazin-1-yl]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(-n2ccc(=O)c(C(=O)/C=C/N(C)C)n2)cc1
InChIInChI=1S/C16H18N4O4S/c1-17-25(23,24)13-6-4-12(5-7-13)20-11-9-15(22)16(18-20)14(21)8-10-19(2)3/h4-11,17H,1-3H3/b10-8+
InChIKeyVIVAIRYYLDVLKE-CSKARUKUSA-N
MW362.41 g/mol
LogP0.40
Rot. Bonds6

About 4-[3-[(E)-3-(dimethylamino)prop-2-enoyl]-4-oxopyridazin-1-yl]-N-methylbenzenesulfonamide

4-[3-[(E)-3-(dimethylamino)prop-2-enoyl]-4-oxopyridazin-1-yl]-N-methylbenzenesulfonamide (PubChem CID 59370052) has the molecular formula C16H18N4O4S and a molecular weight of 362.41 g/mol. Its IUPAC name is 4-[3-[(E)-3-(dimethylamino)prop-2-enoyl]-4-oxopyridazin-1-yl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-[3-[(E)-3-(dimethylamino)prop-2-enoyl]-4-oxopyridazin-1-yl]-N-methylbenzenesulfonamide
PubChem CID59370052
Molecular FormulaC16H18N4O4S
Molecular Weight362.41 g/mol
Exact Mass362.10
IUPAC Name4-[3-[(E)-3-(dimethylamino)prop-2-enoyl]-4-oxopyridazin-1-yl]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(-n2ccc(=O)c(C(=O)/C=C/N(C)C)n2)cc1
InChIInChI=1S/C16H18N4O4S/c1-17-25(23,24)13-6-4-12(5-7-13)20-11-9-15(22)16(18-20)14(21)8-10-19(2)3/h4-11,17H,1-3H3/b10-8+
InChIKeyVIVAIRYYLDVLKE-CSKARUKUSA-N
XLogP0.40
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 4-[3-[(E)-3-(dimethylamino)prop-2-enoyl]-4-oxopyridazin-1-yl]-N-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-methylphenyl)-4-oxo-N-(4-sulfamoylphenyl)-1,4-dihydropyridazine-3-carboxamide
CID 7693181
1-(4-fluorophenyl)-4-oxo-N-(4-sulfamoylphenyl)-1,4-dihydropyridazine-3-carboxamide
CID 16454049
1-(4-methylphenyl)-4-oxo-N-(4-sulfamoylphenyl)-1,4-dihydropyridazine-3-carboxamide
CID 16452884
1-(4-fluorophenyl)-N-{4-[methyl(phenyl)sulfamoyl]phenyl}-4-oxo-1,4-dihydropyridazine-3-carboxamide
CID 16454821
1-(4-fluorophenyl)-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-4-oxopyridazine-3-carboxamide
CID 16455514
3-((E)-3-Dimethylamino-acryloyl)-1-(3-trifluoromethansulfonyl-phenyl)-1H-pyridazin-4-one
CID 59370132
3-((E)-3-Dimethylamino-acryloyl)-1-(4-trifluoromethansulfonyl-phenyl)-1H-pyridazin-4-one
CID 59370166
3-[3-(Dimethylamino)prop-2-enoyl]-1-[4-(trifluoromethylsulfonyl)phenyl]pyridazin-4-one
CID 67430703
3-[3-(Dimethylamino)prop-2-enoyl]-1-[3-(trifluoromethylsulfonyl)phenyl]pyridazin-4-one
CID 67430754
1-(2-fluorophenyl)-6-methyl-4-oxo-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyridazine-3-carboxamide
CID 16350740
N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(4-fluorophenyl)-4-oxo-1,4-dihydropyridazine-3-carboxamide
CID 16454047
N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-1-(4-fluorophenyl)-4-oxopyridazine-3-carboxamide
CID 16454798

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(E)-3-(dimethylamino)prop-2-enoyl]-4-oxopyridazin-1-yl]-N-methylbenzenesulfonamide?
The IUPAC name of 4-[3-[(E)-3-(dimethylamino)prop-2-enoyl]-4-oxopyridazin-1-yl]-N-methylbenzenesulfonamide (CID 59370052) is 4-[3-[(E)-3-(dimethylamino)prop-2-enoyl]-4-oxopyridazin-1-yl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-[3-[(E)-3-(dimethylamino)prop-2-enoyl]-4-oxopyridazin-1-yl]-N-methylbenzenesulfonamide?
The canonical SMILES for 4-[3-[(E)-3-(dimethylamino)prop-2-enoyl]-4-oxopyridazin-1-yl]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(-n2ccc(=O)c(C(=O)/C=C/N(C)C)n2)cc1.
What is the InChIKey of 4-[3-[(E)-3-(dimethylamino)prop-2-enoyl]-4-oxopyridazin-1-yl]-N-methylbenzenesulfonamide?
The InChIKey is VIVAIRYYLDVLKE-CSKARUKUSA-N. The full InChI is InChI=1S/C16H18N4O4S/c1-17-25(23,24)13-6-4-12(5-7-13)20-11-9-15(22)16(18-20)14(21)8-10-19(2)3/h4-11,17H,1-3H3/b10-8+.
What are the key properties of 4-[3-[(E)-3-(dimethylamino)prop-2-enoyl]-4-oxopyridazin-1-yl]-N-methylbenzenesulfonamide?
4-[3-[(E)-3-(dimethylamino)prop-2-enoyl]-4-oxopyridazin-1-yl]-N-methylbenzenesulfonamide has a molecular weight of 362.41 g/mol, XLogP of 0.40, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(E)-3-(dimethylamino)prop-2-enoyl]-4-oxopyridazin-1-yl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 59370052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).