N-(6-methoxypyridazin-3-yl)-4-[[(Z)-3-oxo-3-phenylprop-1-enyl]amino]benzenesulfonamide

C20H18N4O4S — CID 5347615

IUPACN-(6-methoxypyridazin-3-yl)-4-[[(Z)-3-oxo-3-phenylprop-1-enyl]amino]benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(N/C=C\C(=O)c3ccccc3)cc2)nn1
InChIInChI=1S/C20H18N4O4S/c1-28-20-12-11-19(22-23-20)24-29(26,27)17-9-7-16(8-10-17)21-14-13-18(25)15-5-3-2-4-6-15/h2-14,21H,1H3,(H,22,24)/b14-13-
InChIKeyXBWIUBVTNXJHMY-YPKPFQOOSA-N
MW410.46 g/mol
LogP3.09
Rot. Bonds8

About N-(6-methoxypyridazin-3-yl)-4-[[(Z)-3-oxo-3-phenylprop-1-enyl]amino]benzenesulfonamide

N-(6-methoxypyridazin-3-yl)-4-[[(Z)-3-oxo-3-phenylprop-1-enyl]amino]benzenesulfonamide (PubChem CID 5347615) has the molecular formula C20H18N4O4S and a molecular weight of 410.46 g/mol. Its IUPAC name is N-(6-methoxypyridazin-3-yl)-4-[[(Z)-3-oxo-3-phenylprop-1-enyl]amino]benzenesulfonamide.

Molecular Properties

Compound NameN-(6-methoxypyridazin-3-yl)-4-[[(Z)-3-oxo-3-phenylprop-1-enyl]amino]benzenesulfonamide
PubChem CID5347615
Molecular FormulaC20H18N4O4S
Molecular Weight410.46 g/mol
Exact Mass410.10
IUPAC NameN-(6-methoxypyridazin-3-yl)-4-[[(Z)-3-oxo-3-phenylprop-1-enyl]amino]benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(N/C=C\C(=O)c3ccccc3)cc2)nn1
InChIInChI=1S/C20H18N4O4S/c1-28-20-12-11-19(22-23-20)24-29(26,27)17-9-7-16(8-10-17)21-14-13-18(25)15-5-3-2-4-6-15/h2-14,21H,1H3,(H,22,24)/b14-13-
InChIKeyXBWIUBVTNXJHMY-YPKPFQOOSA-N
XLogP3.09
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.46
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-N-[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]benzamide
CID 6414370
(Z)-3-[4-(benzenesulfonyl)anilino]-1-phenylprop-2-en-1-one
CID 26457725
2,2,2-trifluoro-N-[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]acetamide
CID 628321
4-[[(Z)-3-(3,4-dimethoxyphenyl)-3-oxoprop-1-enyl]amino]-N-(2,6-dimethylpyrimidin-4-yl)benzenesulfonamide
CID 132530760
methyl 4-[(3-oxo-3-phenylprop-1-enyl)amino]benzoate
CID 870651
4-[[3-(2,4-dimethoxyphenyl)-3-oxoprop-1-enyl]amino]-N-(2,6-dimethoxypyrimidin-4-yl)benzenesulfonamide
CID 1118457
N-[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]-4-(2-methylbutan-2-yl)benzenesulfonamide
CID 25048332
N-[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]-4-propylbenzenesulfonamide
CID 6411940
4-fluoro-N-[[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]carbamothioyl]benzamide
CID 6410986
3-fluoro-N-[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]pyridine-2-carboxamide
CID 178030232
(E)-3-(4-anilinoanilino)-1-phenylprop-2-en-1-one
CID 126187883
N-[[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]carbamothioyl]-3-thiophen-2-ylprop-2-enamide
CID 6832228

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxypyridazin-3-yl)-4-[[(Z)-3-oxo-3-phenylprop-1-enyl]amino]benzenesulfonamide?
The IUPAC name of N-(6-methoxypyridazin-3-yl)-4-[[(Z)-3-oxo-3-phenylprop-1-enyl]amino]benzenesulfonamide (CID 5347615) is N-(6-methoxypyridazin-3-yl)-4-[[(Z)-3-oxo-3-phenylprop-1-enyl]amino]benzenesulfonamide.
What is the SMILES notation for N-(6-methoxypyridazin-3-yl)-4-[[(Z)-3-oxo-3-phenylprop-1-enyl]amino]benzenesulfonamide?
The canonical SMILES for N-(6-methoxypyridazin-3-yl)-4-[[(Z)-3-oxo-3-phenylprop-1-enyl]amino]benzenesulfonamide is COc1ccc(NS(=O)(=O)c2ccc(N/C=C\C(=O)c3ccccc3)cc2)nn1.
What is the InChIKey of N-(6-methoxypyridazin-3-yl)-4-[[(Z)-3-oxo-3-phenylprop-1-enyl]amino]benzenesulfonamide?
The InChIKey is XBWIUBVTNXJHMY-YPKPFQOOSA-N. The full InChI is InChI=1S/C20H18N4O4S/c1-28-20-12-11-19(22-23-20)24-29(26,27)17-9-7-16(8-10-17)21-14-13-18(25)15-5-3-2-4-6-15/h2-14,21H,1H3,(H,22,24)/b14-13-.
What are the key properties of N-(6-methoxypyridazin-3-yl)-4-[[(Z)-3-oxo-3-phenylprop-1-enyl]amino]benzenesulfonamide?
N-(6-methoxypyridazin-3-yl)-4-[[(Z)-3-oxo-3-phenylprop-1-enyl]amino]benzenesulfonamide has a molecular weight of 410.46 g/mol, XLogP of 3.09, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxypyridazin-3-yl)-4-[[(Z)-3-oxo-3-phenylprop-1-enyl]amino]benzenesulfonamide is sourced from PubChem (CID 5347615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).