N-[3-[[5-chloro-1-(4-chlorophenyl)-6-oxopyridazin-4-yl]amino]propyl]-N-ethylmethanesulfonamide

C16H20Cl2N4O3S — CID 60521372

IUPACN-[3-[[5-chloro-1-(4-chlorophenyl)-6-oxopyridazin-4-yl]amino]propyl]-N-ethylmethanesulfonamide
SMILESCCN(CCCNc1cnn(-c2ccc(Cl)cc2)c(=O)c1Cl)S(C)(=O)=O
InChIInChI=1S/C16H20Cl2N4O3S/c1-3-21(26(2,24)25)10-4-9-19-14-11-20-22(16(23)15(14)18)13-7-5-12(17)6-8-13/h5-8,11,19H,3-4,9-10H2,1-2H3
InChIKeyALDCRQAFBNHYSI-UHFFFAOYSA-N
MW419.33 g/mol
LogP2.62
Rot. Bonds8

About N-[3-[[5-chloro-1-(4-chlorophenyl)-6-oxopyridazin-4-yl]amino]propyl]-N-ethylmethanesulfonamide

N-[3-[[5-chloro-1-(4-chlorophenyl)-6-oxopyridazin-4-yl]amino]propyl]-N-ethylmethanesulfonamide (PubChem CID 60521372) has the molecular formula C16H20Cl2N4O3S and a molecular weight of 419.33 g/mol. Its IUPAC name is N-[3-[[5-chloro-1-(4-chlorophenyl)-6-oxopyridazin-4-yl]amino]propyl]-N-ethylmethanesulfonamide.

Molecular Properties

Compound NameN-[3-[[5-chloro-1-(4-chlorophenyl)-6-oxopyridazin-4-yl]amino]propyl]-N-ethylmethanesulfonamide
PubChem CID60521372
Molecular FormulaC16H20Cl2N4O3S
Molecular Weight419.33 g/mol
Exact Mass418.06
IUPAC NameN-[3-[[5-chloro-1-(4-chlorophenyl)-6-oxopyridazin-4-yl]amino]propyl]-N-ethylmethanesulfonamide
SMILESCCN(CCCNc1cnn(-c2ccc(Cl)cc2)c(=O)c1Cl)S(C)(=O)=O
InChIInChI=1S/C16H20Cl2N4O3S/c1-3-21(26(2,24)25)10-4-9-19-14-11-20-22(16(23)15(14)18)13-7-5-12(17)6-8-13/h5-8,11,19H,3-4,9-10H2,1-2H3
InChIKeyALDCRQAFBNHYSI-UHFFFAOYSA-N
XLogP2.62
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.33
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-(4-chlorophenyl)-5-(2-pyrazol-1-ylethylamino)pyridazin-3-one
CID 133280925
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4-chloro-2-(4-chlorophenyl)-5-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]pyridazin-3-one
CID 133496558
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[3-[ethyl(methylsulfonyl)amino]propyl]benzamide
CID 60552295
5-[2-(4-acetylpiperazin-1-yl)ethylamino]-4-chloro-2-(4-chlorophenyl)pyridazin-3-one
CID 60502796
4-chloro-2-(4-chlorophenyl)-5-[2-hydroxyethyl(methyl)amino]pyridazin-3-one
CID 133381459
4-[4-(2-acetamidoethylamino)-5-chloro-6-oxopyridazin-1-yl]benzoic acid
CID 45319538
4-chloro-2-(4-chlorophenyl)-5-[[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]amino]pyridazin-3-one
CID 133323547
N-[3-[(5-chloropyrimidin-4-yl)amino]propyl]-N-ethylmethanesulfonamide
CID 105369232
4-chloro-2-(4-chlorophenyl)-5-[[2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]amino]pyridazin-3-one
CID 133306790
methyl 4-[4-(2-acetamidoethylamino)-5-chloro-6-oxopyridazin-1-yl]benzoate
CID 47020590
4-chloro-2-(4-chlorophenyl)-5-[[(3S)-oxolan-3-yl]methylamino]pyridazin-3-one
CID 94415319

Frequently Asked Questions

What is the IUPAC name of N-[3-[[5-chloro-1-(4-chlorophenyl)-6-oxopyridazin-4-yl]amino]propyl]-N-ethylmethanesulfonamide?
The IUPAC name of N-[3-[[5-chloro-1-(4-chlorophenyl)-6-oxopyridazin-4-yl]amino]propyl]-N-ethylmethanesulfonamide (CID 60521372) is N-[3-[[5-chloro-1-(4-chlorophenyl)-6-oxopyridazin-4-yl]amino]propyl]-N-ethylmethanesulfonamide.
What is the SMILES notation for N-[3-[[5-chloro-1-(4-chlorophenyl)-6-oxopyridazin-4-yl]amino]propyl]-N-ethylmethanesulfonamide?
The canonical SMILES for N-[3-[[5-chloro-1-(4-chlorophenyl)-6-oxopyridazin-4-yl]amino]propyl]-N-ethylmethanesulfonamide is CCN(CCCNc1cnn(-c2ccc(Cl)cc2)c(=O)c1Cl)S(C)(=O)=O.
What is the InChIKey of N-[3-[[5-chloro-1-(4-chlorophenyl)-6-oxopyridazin-4-yl]amino]propyl]-N-ethylmethanesulfonamide?
The InChIKey is ALDCRQAFBNHYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2N4O3S/c1-3-21(26(2,24)25)10-4-9-19-14-11-20-22(16(23)15(14)18)13-7-5-12(17)6-8-13/h5-8,11,19H,3-4,9-10H2,1-2H3.
What are the key properties of N-[3-[[5-chloro-1-(4-chlorophenyl)-6-oxopyridazin-4-yl]amino]propyl]-N-ethylmethanesulfonamide?
N-[3-[[5-chloro-1-(4-chlorophenyl)-6-oxopyridazin-4-yl]amino]propyl]-N-ethylmethanesulfonamide has a molecular weight of 419.33 g/mol, XLogP of 2.62, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[5-chloro-1-(4-chlorophenyl)-6-oxopyridazin-4-yl]amino]propyl]-N-ethylmethanesulfonamide is sourced from PubChem (CID 60521372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).