4-[[4-(4,5-dichloro-6-oxopyridazin-1-yl)phenyl]sulfonyl-methylamino]benzamide

C18H14Cl2N4O4S — CID 55891962

IUPAC4-[[4-(4,5-dichloro-6-oxopyridazin-1-yl)phenyl]sulfonyl-methylamino]benzamide
SMILESCN(c1ccc(C(N)=O)cc1)S(=O)(=O)c1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1
InChIInChI=1S/C18H14Cl2N4O4S/c1-23(12-4-2-11(3-5-12)17(21)25)29(27,28)14-8-6-13(7-9-14)24-18(26)16(20)15(19)10-22-24/h2-10H,1H3,(H2,21,25)
InChIKeyWBIPLYKWBGHRHR-UHFFFAOYSA-N
MW453.31 g/mol
LogP2.46
Rot. Bonds5

About 4-[[4-(4,5-dichloro-6-oxopyridazin-1-yl)phenyl]sulfonyl-methylamino]benzamide

4-[[4-(4,5-dichloro-6-oxopyridazin-1-yl)phenyl]sulfonyl-methylamino]benzamide (PubChem CID 55891962) has the molecular formula C18H14Cl2N4O4S and a molecular weight of 453.31 g/mol. Its IUPAC name is 4-[[4-(4,5-dichloro-6-oxopyridazin-1-yl)phenyl]sulfonyl-methylamino]benzamide.

Molecular Properties

Compound Name4-[[4-(4,5-dichloro-6-oxopyridazin-1-yl)phenyl]sulfonyl-methylamino]benzamide
PubChem CID55891962
Molecular FormulaC18H14Cl2N4O4S
Molecular Weight453.31 g/mol
Exact Mass452.01
IUPAC Name4-[[4-(4,5-dichloro-6-oxopyridazin-1-yl)phenyl]sulfonyl-methylamino]benzamide
SMILESCN(c1ccc(C(N)=O)cc1)S(=O)(=O)c1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1
InChIInChI=1S/C18H14Cl2N4O4S/c1-23(12-4-2-11(3-5-12)17(21)25)29(27,28)14-8-6-13(7-9-14)24-18(26)16(20)15(19)10-22-24/h2-10H,1H3,(H2,21,25)
InChIKeyWBIPLYKWBGHRHR-UHFFFAOYSA-N
XLogP2.46
TPSA115.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.31
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[[4-(4,5-dichloro-6-oxopyridazin-1-yl)phenyl]sulfonyl-methylamino]benzamide with MolForge

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Related Compounds

4-(1-Oxophthalazin-2-yl)benzenesulfonamide
CID 2826269
4-[4-(Benzylamino)-5-chloro-6-oxopyridazin-1-yl]benzenesulfonamide
CID 155559512
4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(5-fluoro-2-methylphenyl)benzenesulfonamide
CID 25474281
N-methyl-N-(4-{[(2E)-2-(4-methylbenzylidene)hydrazinyl]carbonyl}phenyl)benzenesulfonamide
CID 6868259
4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(3-ethylphenyl)benzenesulfonamide
CID 31694924
3-[[4-(4,5-dichloro-6-oxopyridazin-1-yl)phenyl]sulfonylamino]-N,N-diethylbenzamide
CID 31776553
4-[5-Chloro-4-[(4-fluorophenyl)methylamino]-6-oxopyridazin-1-yl]benzenesulfonamide
CID 18775175
4-[1-(4-Sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-1-ium-1-yl]benzamide
CID 22734499
4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(2-fluoro-4-methylphenyl)benzenesulfonamide
CID 25468961
N-[(E)-(4-acetamidophenyl)methylideneamino]-4-(dipropylsulfamoyl)benzamide
CID 9583308
N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-4-sulfamoylbenzamide
CID 171396056
4-[benzenesulfonyl(methyl)amino]-N-[(2-fluorophenyl)methylideneamino]benzamide
CID 3496633

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4,5-dichloro-6-oxopyridazin-1-yl)phenyl]sulfonyl-methylamino]benzamide?
The IUPAC name of 4-[[4-(4,5-dichloro-6-oxopyridazin-1-yl)phenyl]sulfonyl-methylamino]benzamide (CID 55891962) is 4-[[4-(4,5-dichloro-6-oxopyridazin-1-yl)phenyl]sulfonyl-methylamino]benzamide.
What is the SMILES notation for 4-[[4-(4,5-dichloro-6-oxopyridazin-1-yl)phenyl]sulfonyl-methylamino]benzamide?
The canonical SMILES for 4-[[4-(4,5-dichloro-6-oxopyridazin-1-yl)phenyl]sulfonyl-methylamino]benzamide is CN(c1ccc(C(N)=O)cc1)S(=O)(=O)c1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1.
What is the InChIKey of 4-[[4-(4,5-dichloro-6-oxopyridazin-1-yl)phenyl]sulfonyl-methylamino]benzamide?
The InChIKey is WBIPLYKWBGHRHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N4O4S/c1-23(12-4-2-11(3-5-12)17(21)25)29(27,28)14-8-6-13(7-9-14)24-18(26)16(20)15(19)10-22-24/h2-10H,1H3,(H2,21,25).
What are the key properties of 4-[[4-(4,5-dichloro-6-oxopyridazin-1-yl)phenyl]sulfonyl-methylamino]benzamide?
4-[[4-(4,5-dichloro-6-oxopyridazin-1-yl)phenyl]sulfonyl-methylamino]benzamide has a molecular weight of 453.31 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4,5-dichloro-6-oxopyridazin-1-yl)phenyl]sulfonyl-methylamino]benzamide is sourced from PubChem (CID 55891962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).