3-[4-(2,5-diethoxyphenyl)sulfonylpiperazin-1-yl]pyridazine

C18H24N4O4S — CID 121060962

IUPAC3-[4-(2,5-diethoxyphenyl)sulfonylpiperazin-1-yl]pyridazine
SMILESCCOc1ccc(OCC)c(S(=O)(=O)N2CCN(c3cccnn3)CC2)c1
InChIInChI=1S/C18H24N4O4S/c1-3-25-15-7-8-16(26-4-2)17(14-15)27(23,24)22-12-10-21(11-13-22)18-6-5-9-19-20-18/h5-9,14H,3-4,10-13H2,1-2H3
InChIKeyBEUBJOBZGXVSBT-UHFFFAOYSA-N
MW392.48 g/mol
LogP1.78
Rot. Bonds7

About 3-[4-(2,5-diethoxyphenyl)sulfonylpiperazin-1-yl]pyridazine

3-[4-(2,5-diethoxyphenyl)sulfonylpiperazin-1-yl]pyridazine (PubChem CID 121060962) has the molecular formula C18H24N4O4S and a molecular weight of 392.48 g/mol. Its IUPAC name is 3-[4-(2,5-diethoxyphenyl)sulfonylpiperazin-1-yl]pyridazine.

Molecular Properties

Compound Name3-[4-(2,5-diethoxyphenyl)sulfonylpiperazin-1-yl]pyridazine
PubChem CID121060962
Molecular FormulaC18H24N4O4S
Molecular Weight392.48 g/mol
Exact Mass392.15
IUPAC Name3-[4-(2,5-diethoxyphenyl)sulfonylpiperazin-1-yl]pyridazine
SMILESCCOc1ccc(OCC)c(S(=O)(=O)N2CCN(c3cccnn3)CC2)c1
InChIInChI=1S/C18H24N4O4S/c1-3-25-15-7-8-16(26-4-2)17(14-15)27(23,24)22-12-10-21(11-13-22)18-6-5-9-19-20-18/h5-9,14H,3-4,10-13H2,1-2H3
InChIKeyBEUBJOBZGXVSBT-UHFFFAOYSA-N
XLogP1.78
TPSA84.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[4-(5-bromo-2-ethoxyphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 121060936
3-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 121060928
4-[4-(2,5-diethoxyphenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine
CID 122343394
4-[6-[4-(2,5-diethoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-4-yl]morpholine
CID 91968919
3-[4-(2,4-diethoxyphenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyridazine
CID 121053243
3-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 121060951
1-(3-chloro-2-methylphenyl)-4-(2,5-diethoxyphenyl)sulfonylpiperazine
CID 1178575
1-(3-chloro-4-methylphenyl)-4-(2,5-diethoxyphenyl)sulfonylpiperazine
CID 1289904
3-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 121061006
6-[4-(2,4-diethoxyphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyridazin-3-amine
CID 121053024
1-(2,5-diethoxyphenyl)sulfonyl-3,5-dimethylpiperidine
CID 91670208
2-[4-(5-bromo-2-ethoxyphenyl)sulfonylpiperazin-1-yl]pyrimidine
CID 2377022

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,5-diethoxyphenyl)sulfonylpiperazin-1-yl]pyridazine?
The IUPAC name of 3-[4-(2,5-diethoxyphenyl)sulfonylpiperazin-1-yl]pyridazine (CID 121060962) is 3-[4-(2,5-diethoxyphenyl)sulfonylpiperazin-1-yl]pyridazine.
What is the SMILES notation for 3-[4-(2,5-diethoxyphenyl)sulfonylpiperazin-1-yl]pyridazine?
The canonical SMILES for 3-[4-(2,5-diethoxyphenyl)sulfonylpiperazin-1-yl]pyridazine is CCOc1ccc(OCC)c(S(=O)(=O)N2CCN(c3cccnn3)CC2)c1.
What is the InChIKey of 3-[4-(2,5-diethoxyphenyl)sulfonylpiperazin-1-yl]pyridazine?
The InChIKey is BEUBJOBZGXVSBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4S/c1-3-25-15-7-8-16(26-4-2)17(14-15)27(23,24)22-12-10-21(11-13-22)18-6-5-9-19-20-18/h5-9,14H,3-4,10-13H2,1-2H3.
What are the key properties of 3-[4-(2,5-diethoxyphenyl)sulfonylpiperazin-1-yl]pyridazine?
3-[4-(2,5-diethoxyphenyl)sulfonylpiperazin-1-yl]pyridazine has a molecular weight of 392.48 g/mol, XLogP of 1.78, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,5-diethoxyphenyl)sulfonylpiperazin-1-yl]pyridazine is sourced from PubChem (CID 121060962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).