2-[4-[6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]ethanol

C21H30N6O3S — CID 121052957

IUPAC2-[4-[6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]ethanol
SMILESCc1ccc(S(=O)(=O)N2CCN(c3ccc(N4CCN(CCO)CC4)nn3)CC2)cc1
InChIInChI=1S/C21H30N6O3S/c1-18-2-4-19(5-3-18)31(29,30)27-14-12-26(13-15-27)21-7-6-20(22-23-21)25-10-8-24(9-11-25)16-17-28/h2-7,28H,8-17H2,1H3
InChIKeyHMWYEFXCSHCAEL-UHFFFAOYSA-N
MW446.58 g/mol
LogP0.41
Rot. Bonds6

About 2-[4-[6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]ethanol

2-[4-[6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]ethanol (PubChem CID 121052957) has the molecular formula C21H30N6O3S and a molecular weight of 446.58 g/mol. Its IUPAC name is 2-[4-[6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]ethanol
PubChem CID121052957
Molecular FormulaC21H30N6O3S
Molecular Weight446.58 g/mol
Exact Mass446.21
IUPAC Name2-[4-[6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]ethanol
SMILESCc1ccc(S(=O)(=O)N2CCN(c3ccc(N4CCN(CCO)CC4)nn3)CC2)cc1
InChIInChI=1S/C21H30N6O3S/c1-18-2-4-19(5-3-18)31(29,30)27-14-12-26(13-15-27)21-7-6-20(22-23-21)25-10-8-24(9-11-25)16-17-28/h2-7,28H,8-17H2,1H3
InChIKeyHMWYEFXCSHCAEL-UHFFFAOYSA-N
XLogP0.41
TPSA93.11 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.58
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[4-[6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]ethanol 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-[4-[6-[4-(1,2-oxazol-4-ylsulfonyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]ethanol
CID 122336845
2-[4-[6-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanol
CID 122336864
2-[4-[6-[4-(4-methoxy-2,3-dimethylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]ethanol
CID 121053269
2-[4-[6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanol
CID 121053278
3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyridazine
CID 56921399
3-(2-methylimidazol-1-yl)-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 90539689
2-[4-(4-pyrrolidin-1-ylphenyl)sulfonylpiperazin-1-yl]ethanol
CID 168512153
2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 8742873
6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-pyridin-4-ylpyridazin-3-amine
CID 50947847
6-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]-N-(4-methylphenyl)pyridazin-3-amine
CID 26843160
1-(4-methylphenyl)sulfonyl-4-[2-(sulfinoamino)ethyl]piperazine
CID 71192302
6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyridazin-3-amine
CID 50945710

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]ethanol (CID 121052957) is 2-[4-[6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]ethanol is Cc1ccc(S(=O)(=O)N2CCN(c3ccc(N4CCN(CCO)CC4)nn3)CC2)cc1.
What is the InChIKey of 2-[4-[6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]ethanol?
The InChIKey is HMWYEFXCSHCAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N6O3S/c1-18-2-4-19(5-3-18)31(29,30)27-14-12-26(13-15-27)21-7-6-20(22-23-21)25-10-8-24(9-11-25)16-17-28/h2-7,28H,8-17H2,1H3.
What are the key properties of 2-[4-[6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]ethanol?
2-[4-[6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]ethanol has a molecular weight of 446.58 g/mol, XLogP of 0.41, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]ethanol is sourced from PubChem (CID 121052957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).