3-(4-chlorophenyl)sulfonyl-6-(4-cyclohexylpiperazin-1-yl)pyridazine

C20H25ClN4O2S — CID 53073249

IUPAC3-(4-chlorophenyl)sulfonyl-6-(4-cyclohexylpiperazin-1-yl)pyridazine
SMILESO=S(=O)(c1ccc(Cl)cc1)c1ccc(N2CCN(C3CCCCC3)CC2)nn1
InChIInChI=1S/C20H25ClN4O2S/c21-16-6-8-18(9-7-16)28(26,27)20-11-10-19(22-23-20)25-14-12-24(13-15-25)17-4-2-1-3-5-17/h6-11,17H,1-5,12-15H2
InChIKeyLOEHBBIVMVHHDH-UHFFFAOYSA-N
MW420.97 g/mol
LogP3.42
Rot. Bonds4

About 3-(4-chlorophenyl)sulfonyl-6-(4-cyclohexylpiperazin-1-yl)pyridazine

3-(4-chlorophenyl)sulfonyl-6-(4-cyclohexylpiperazin-1-yl)pyridazine (PubChem CID 53073249) has the molecular formula C20H25ClN4O2S and a molecular weight of 420.97 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfonyl-6-(4-cyclohexylpiperazin-1-yl)pyridazine.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfonyl-6-(4-cyclohexylpiperazin-1-yl)pyridazine
PubChem CID53073249
Molecular FormulaC20H25ClN4O2S
Molecular Weight420.97 g/mol
Exact Mass420.14
IUPAC Name3-(4-chlorophenyl)sulfonyl-6-(4-cyclohexylpiperazin-1-yl)pyridazine
SMILESO=S(=O)(c1ccc(Cl)cc1)c1ccc(N2CCN(C3CCCCC3)CC2)nn1
InChIInChI=1S/C20H25ClN4O2S/c21-16-6-8-18(9-7-16)28(26,27)20-11-10-19(22-23-20)25-14-12-24(13-15-25)17-4-2-1-3-5-17/h6-11,17H,1-5,12-15H2
InChIKeyLOEHBBIVMVHHDH-UHFFFAOYSA-N
XLogP3.42
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.97
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-(4-chlorophenyl)sulfonyl-6-(4-cyclohexylpiperazin-1-yl)pyridazine 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

3-(4-cyclohexylpiperazin-1-yl)-6-(3,4-dimethylphenyl)sulfonylpyridazine
CID 53073343
3-(4-chlorophenyl)sulfonyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine
CID 53073252
3-(benzenesulfonyl)-6-piperidin-1-ylpyridazine
CID 53033983
3-(4-chlorophenyl)-6-(4-cyclohexylpiperazin-1-yl)-4-methylpyridazine
CID 142271744
1-cyclohexyl-4-(3,4-dichlorophenyl)sulfonylpiperazine
CID 23738911
3-tert-butyl-6-(4-piperidin-1-ylpiperidin-1-yl)pyridazine
CID 171691198
1-[6-[4-[(4-chlorophenyl)methylsulfonyl]piperazin-1-yl]pyridazin-3-yl]azepane
CID 122335077
1-[6-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]azepane
CID 26843190
4-chloro-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]benzenesulfonamide
CID 113039262
1-(4-chlorophenyl)-N-[[2-(4-cyclopentylpiperazin-1-yl)-4-pyridinyl]methyl]methanesulfonamide
CID 11539651
3-(chloromethyl)-6-(4-cyclopropylpiperazin-1-yl)pyridazine
CID 61445366
3-[(4-chlorophenyl)methylsulfonyl]-6-(4-phenylpiperazin-1-yl)pyridazine
CID 27373691

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfonyl-6-(4-cyclohexylpiperazin-1-yl)pyridazine?
The IUPAC name of 3-(4-chlorophenyl)sulfonyl-6-(4-cyclohexylpiperazin-1-yl)pyridazine (CID 53073249) is 3-(4-chlorophenyl)sulfonyl-6-(4-cyclohexylpiperazin-1-yl)pyridazine.
What is the SMILES notation for 3-(4-chlorophenyl)sulfonyl-6-(4-cyclohexylpiperazin-1-yl)pyridazine?
The canonical SMILES for 3-(4-chlorophenyl)sulfonyl-6-(4-cyclohexylpiperazin-1-yl)pyridazine is O=S(=O)(c1ccc(Cl)cc1)c1ccc(N2CCN(C3CCCCC3)CC2)nn1.
What is the InChIKey of 3-(4-chlorophenyl)sulfonyl-6-(4-cyclohexylpiperazin-1-yl)pyridazine?
The InChIKey is LOEHBBIVMVHHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN4O2S/c21-16-6-8-18(9-7-16)28(26,27)20-11-10-19(22-23-20)25-14-12-24(13-15-25)17-4-2-1-3-5-17/h6-11,17H,1-5,12-15H2.
What are the key properties of 3-(4-chlorophenyl)sulfonyl-6-(4-cyclohexylpiperazin-1-yl)pyridazine?
3-(4-chlorophenyl)sulfonyl-6-(4-cyclohexylpiperazin-1-yl)pyridazine has a molecular weight of 420.97 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfonyl-6-(4-cyclohexylpiperazin-1-yl)pyridazine is sourced from PubChem (CID 53073249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).