3-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]pyridazine

C16H20N4O3S — CID 121060928

IUPAC3-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]pyridazine
SMILESCCOc1ccc(S(=O)(=O)N2CCN(c3cccnn3)CC2)cc1
InChIInChI=1S/C16H20N4O3S/c1-2-23-14-5-7-15(8-6-14)24(21,22)20-12-10-19(11-13-20)16-4-3-9-17-18-16/h3-9H,2,10-13H2,1H3
InChIKeyBQBNSXAZIOQMIU-UHFFFAOYSA-N
MW348.43 g/mol
LogP1.39
Rot. Bonds5

About 3-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]pyridazine

3-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]pyridazine (PubChem CID 121060928) has the molecular formula C16H20N4O3S and a molecular weight of 348.43 g/mol. Its IUPAC name is 3-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]pyridazine.

Molecular Properties

Compound Name3-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]pyridazine
PubChem CID121060928
Molecular FormulaC16H20N4O3S
Molecular Weight348.43 g/mol
Exact Mass348.13
IUPAC Name3-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]pyridazine
SMILESCCOc1ccc(S(=O)(=O)N2CCN(c3cccnn3)CC2)cc1
InChIInChI=1S/C16H20N4O3S/c1-2-23-14-5-7-15(8-6-14)24(21,22)20-12-10-19(11-13-20)16-4-3-9-17-18-16/h3-9H,2,10-13H2,1H3
InChIKeyBQBNSXAZIOQMIU-UHFFFAOYSA-N
XLogP1.39
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[4-(4-ethoxyphenyl)sulfonylpiperazin-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-(2,5-diethoxyphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 121060962
3-cyclopropyl-6-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 122279744
3-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-6-(furan-2-yl)pyridazine
CID 25283790
3-[4-(5-bromo-2-ethoxyphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 121060936
1-(4-ethoxyphenyl)sulfonyl-4-methylsulfonylpiperazine
CID 2448017
2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-5-methyl-1,3,4-thiadiazole
CID 108780892
1-(4-ethoxyphenyl)sulfonyl-4-(4-methoxyphenyl)piperazine
CID 1306330
3-[4-(3-fluoro-4-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 121060926
1-(4-ethoxyphenyl)sulfonyl-4-(5-nitro-2-pyridinyl)piperazine
CID 55377896
1-(4-ethoxyphenyl)sulfonyl-4-methylsulfonylpiperidine
CID 90585227
4-chloro-6-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]pyrimidin-2-amine
CID 31537662
4-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-6-(2-methylimidazol-1-yl)pyrimidine
CID 56699534

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]pyridazine?
The IUPAC name of 3-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]pyridazine (CID 121060928) is 3-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]pyridazine.
What is the SMILES notation for 3-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]pyridazine?
The canonical SMILES for 3-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]pyridazine is CCOc1ccc(S(=O)(=O)N2CCN(c3cccnn3)CC2)cc1.
What is the InChIKey of 3-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]pyridazine?
The InChIKey is BQBNSXAZIOQMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3S/c1-2-23-14-5-7-15(8-6-14)24(21,22)20-12-10-19(11-13-20)16-4-3-9-17-18-16/h3-9H,2,10-13H2,1H3.
What are the key properties of 3-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]pyridazine?
3-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]pyridazine has a molecular weight of 348.43 g/mol, XLogP of 1.39, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]pyridazine is sourced from PubChem (CID 121060928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).