2-[4-[6-[4-(4-methoxy-2,3-dimethylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]ethanol

C23H34N6O4S — CID 121053269

IUPAC2-[4-[6-[4-(4-methoxy-2,3-dimethylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]ethanol
SMILESCOc1ccc(S(=O)(=O)N2CCN(c3ccc(N4CCN(CCO)CC4)nn3)CC2)c(C)c1C
InChIInChI=1S/C23H34N6O4S/c1-18-19(2)21(5-4-20(18)33-3)34(31,32)29-14-12-28(13-15-29)23-7-6-22(24-25-23)27-10-8-26(9-11-27)16-17-30/h4-7,30H,8-17H2,1-3H3
InChIKeyKQJCWNLTUIDMDW-UHFFFAOYSA-N
MW490.63 g/mol
LogP0.73
Rot. Bonds7

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

2-[4-[6-[4-(4-methoxy-2,3-dimethylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]ethanol (PubChem CID 121053269) has the molecular formula C23H34N6O4S and a molecular weight of 490.63 g/mol. Its IUPAC name is 2-[4-[6-[4-(4-methoxy-2,3-dimethylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[6-[4-(4-methoxy-2,3-dimethylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]ethanol
PubChem CID121053269
Molecular FormulaC23H34N6O4S
Molecular Weight490.63 g/mol
Exact Mass490.24
IUPAC Name2-[4-[6-[4-(4-methoxy-2,3-dimethylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]ethanol
SMILESCOc1ccc(S(=O)(=O)N2CCN(c3ccc(N4CCN(CCO)CC4)nn3)CC2)c(C)c1C
InChIInChI=1S/C23H34N6O4S/c1-18-19(2)21(5-4-20(18)33-3)34(31,32)29-14-12-28(13-15-29)23-7-6-22(24-25-23)27-10-8-26(9-11-27)16-17-30/h4-7,30H,8-17H2,1-3H3
InChIKeyKQJCWNLTUIDMDW-UHFFFAOYSA-N
XLogP0.73
TPSA102.34 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.63
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-[4-[6-[4-(4-methoxy-2,3-dimethylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]ethanol with MolForge

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Related Compounds

2-[4-[6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]ethanol
CID 121052957
3-methyl-6-[4-(2,3,4-trimethoxyphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 50947976
2-[4-[6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanol
CID 121053278
2-[4-[6-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanol
CID 122336864
1-(4-methoxy-2,3-dimethylphenyl)sulfonylazepane
CID 6472720
3-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]-6-pyrrolidin-1-ylpyridazine
CID 121053052
2-[4-[6-[4-(1,2-oxazol-4-ylsulfonyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]ethanol
CID 122336845
1-(2,4-dimethoxy-3-methylphenyl)sulfonyl-4-ethylpiperazine
CID 110758690
2-[4-(4-methoxy-2,3-dimethylphenyl)sulfonylpiperazin-1-yl]-4-methyl-6-piperidin-1-ylpyrimidine
CID 50945939
3-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine
CID 121061024
4-[4-(4-methoxy-2,3-dimethylphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-pyrazol-1-ylpyrimidine
CID 30868047
1-[6-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]azepane
CID 122335122

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-[4-(4-methoxy-2,3-dimethylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[6-[4-(4-methoxy-2,3-dimethylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]ethanol (CID 121053269) is 2-[4-[6-[4-(4-methoxy-2,3-dimethylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[6-[4-(4-methoxy-2,3-dimethylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[6-[4-(4-methoxy-2,3-dimethylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]ethanol is COc1ccc(S(=O)(=O)N2CCN(c3ccc(N4CCN(CCO)CC4)nn3)CC2)c(C)c1C.
What is the InChIKey of 2-[4-[6-[4-(4-methoxy-2,3-dimethylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]ethanol?
The InChIKey is KQJCWNLTUIDMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N6O4S/c1-18-19(2)21(5-4-20(18)33-3)34(31,32)29-14-12-28(13-15-29)23-7-6-22(24-25-23)27-10-8-26(9-11-27)16-17-30/h4-7,30H,8-17H2,1-3H3.
What are the key properties of 2-[4-[6-[4-(4-methoxy-2,3-dimethylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]ethanol?
2-[4-[6-[4-(4-methoxy-2,3-dimethylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]ethanol has a molecular weight of 490.63 g/mol, XLogP of 0.73, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-[4-(4-methoxy-2,3-dimethylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]ethanol is sourced from PubChem (CID 121053269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).