5-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]sulfonyl-2-methoxybenzamide

C18H24N6O4S — CID 122350947

IUPAC5-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]sulfonyl-2-methoxybenzamide
SMILESCCNc1ccc(N2CCN(S(=O)(=O)c3ccc(OC)c(C(N)=O)c3)CC2)nn1
InChIInChI=1S/C18H24N6O4S/c1-3-20-16-6-7-17(22-21-16)23-8-10-24(11-9-23)29(26,27)13-4-5-15(28-2)14(12-13)18(19)25/h4-7,12H,3,8-11H2,1-2H3,(H2,19,25)(H,20,21)
InChIKeyCNTOCYDMHZOAIB-UHFFFAOYSA-N
MW420.50 g/mol
LogP0.53
Rot. Bonds7

About 5-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]sulfonyl-2-methoxybenzamide

5-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]sulfonyl-2-methoxybenzamide (PubChem CID 122350947) has the molecular formula C18H24N6O4S and a molecular weight of 420.50 g/mol. Its IUPAC name is 5-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]sulfonyl-2-methoxybenzamide.

Molecular Properties

Compound Name5-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]sulfonyl-2-methoxybenzamide
PubChem CID122350947
Molecular FormulaC18H24N6O4S
Molecular Weight420.50 g/mol
Exact Mass420.16
IUPAC Name5-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]sulfonyl-2-methoxybenzamide
SMILESCCNc1ccc(N2CCN(S(=O)(=O)c3ccc(OC)c(C(N)=O)c3)CC2)nn1
InChIInChI=1S/C18H24N6O4S/c1-3-20-16-6-7-17(22-21-16)23-8-10-24(11-9-23)29(26,27)13-4-5-15(28-2)14(12-13)18(19)25/h4-7,12H,3,8-11H2,1-2H3,(H2,19,25)(H,20,21)
InChIKeyCNTOCYDMHZOAIB-UHFFFAOYSA-N
XLogP0.53
TPSA130.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.50
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]sulfonyl-2-methoxybenzamide 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

2-methoxy-5-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]sulfonylbenzamide
CID 122339159
2-methoxy-5-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]sulfonylbenzamide
CID 122346049
N-ethyl-6-[4-(5-fluoro-2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-3-amine
CID 122350896
2-methoxy-5-(4-methylsulfonylpiperazin-1-yl)sulfonylbenzamide
CID 171134280
2-methoxy-5-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]sulfonylbenzamide
CID 122343959
5-[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]sulfonyl-2-methoxybenzamide
CID 122340441
N-ethyl-6-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyridazin-3-amine
CID 122350710
2-methoxy-5-[4-(methylamino)piperidin-1-yl]sulfonylbenzamide;hydrochloride
CID 119979778
4-[6-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine
CID 50806875
2-[1-(3-carbamoyl-4-methoxyphenyl)sulfonylpiperidin-4-yl]acetic acid
CID 146024578
3-[4-(3-fluoro-4-methoxyphenyl)sulfonylpiperazin-1-yl]-6-pyrrolidin-1-ylpyridazine
CID 122334502
2-methoxy-5-(4-methyl-3-oxopiperazin-1-yl)sulfonylbenzamide
CID 146024506

Frequently Asked Questions

What is the IUPAC name of 5-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]sulfonyl-2-methoxybenzamide?
The IUPAC name of 5-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]sulfonyl-2-methoxybenzamide (CID 122350947) is 5-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]sulfonyl-2-methoxybenzamide.
What is the SMILES notation for 5-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]sulfonyl-2-methoxybenzamide?
The canonical SMILES for 5-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]sulfonyl-2-methoxybenzamide is CCNc1ccc(N2CCN(S(=O)(=O)c3ccc(OC)c(C(N)=O)c3)CC2)nn1.
What is the InChIKey of 5-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]sulfonyl-2-methoxybenzamide?
The InChIKey is CNTOCYDMHZOAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O4S/c1-3-20-16-6-7-17(22-21-16)23-8-10-24(11-9-23)29(26,27)13-4-5-15(28-2)14(12-13)18(19)25/h4-7,12H,3,8-11H2,1-2H3,(H2,19,25)(H,20,21).
What are the key properties of 5-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]sulfonyl-2-methoxybenzamide?
5-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]sulfonyl-2-methoxybenzamide has a molecular weight of 420.50 g/mol, XLogP of 0.53, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]sulfonyl-2-methoxybenzamide is sourced from PubChem (CID 122350947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).