3-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-6-(furan-2-yl)pyridazine

C20H22N4O4S — CID 25283790

IUPAC3-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-6-(furan-2-yl)pyridazine
SMILESCCOc1ccc(S(=O)(=O)N2CCN(c3ccc(-c4ccco4)nn3)CC2)cc1
InChIInChI=1S/C20H22N4O4S/c1-2-27-16-5-7-17(8-6-16)29(25,26)24-13-11-23(12-14-24)20-10-9-18(21-22-20)19-4-3-15-28-19/h3-10,15H,2,11-14H2,1H3
InChIKeyGSXIFFIPKOMPRQ-UHFFFAOYSA-N
MW414.49 g/mol
LogP2.65
Rot. Bonds6

About 3-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-6-(furan-2-yl)pyridazine

3-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-6-(furan-2-yl)pyridazine (PubChem CID 25283790) has the molecular formula C20H22N4O4S and a molecular weight of 414.49 g/mol. Its IUPAC name is 3-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-6-(furan-2-yl)pyridazine.

Molecular Properties

Compound Name3-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-6-(furan-2-yl)pyridazine
PubChem CID25283790
Molecular FormulaC20H22N4O4S
Molecular Weight414.49 g/mol
Exact Mass414.14
IUPAC Name3-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-6-(furan-2-yl)pyridazine
SMILESCCOc1ccc(S(=O)(=O)N2CCN(c3ccc(-c4ccco4)nn3)CC2)cc1
InChIInChI=1S/C20H22N4O4S/c1-2-27-16-5-7-17(8-6-16)29(25,26)24-13-11-23(12-14-24)20-10-9-18(21-22-20)19-4-3-15-28-19/h3-10,15H,2,11-14H2,1H3
InChIKeyGSXIFFIPKOMPRQ-UHFFFAOYSA-N
XLogP2.65
TPSA88.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.49
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-cyclopropyl-6-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 122279744
3-(furan-2-yl)-6-(4-pyridin-3-ylsulfonylpiperazin-1-yl)pyridazine
CID 25283799
3-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-6-(furan-2-yl)pyridazine
CID 42109392
3-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 121060928
3-[4-(3-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-(furan-2-yl)pyridazine
CID 121058607
1-(4-ethoxyphenyl)sulfonyl-4-(5-nitro-2-pyridinyl)piperazine
CID 55377896
4-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-6-(3-methoxyphenyl)pyrimidine
CID 53071560
1-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]propan-1-one
CID 40804995
1-(4-ethoxyphenyl)sulfonyl-4-(4-methoxyphenyl)piperazine
CID 1306330
1-(4-ethoxyphenyl)sulfonyl-4-(3-methyl-5-nitroimidazol-4-yl)piperazine
CID 18095194
3-[4-(4-butoxyphenyl)sulfonylpiperazin-1-yl]-6-(3,4,5-trimethoxyphenyl)pyridazine
CID 121060832
[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 16812511

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-6-(furan-2-yl)pyridazine?
The IUPAC name of 3-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-6-(furan-2-yl)pyridazine (CID 25283790) is 3-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-6-(furan-2-yl)pyridazine.
What is the SMILES notation for 3-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-6-(furan-2-yl)pyridazine?
The canonical SMILES for 3-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-6-(furan-2-yl)pyridazine is CCOc1ccc(S(=O)(=O)N2CCN(c3ccc(-c4ccco4)nn3)CC2)cc1.
What is the InChIKey of 3-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-6-(furan-2-yl)pyridazine?
The InChIKey is GSXIFFIPKOMPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4S/c1-2-27-16-5-7-17(8-6-16)29(25,26)24-13-11-23(12-14-24)20-10-9-18(21-22-20)19-4-3-15-28-19/h3-10,15H,2,11-14H2,1H3.
What are the key properties of 3-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-6-(furan-2-yl)pyridazine?
3-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-6-(furan-2-yl)pyridazine has a molecular weight of 414.49 g/mol, XLogP of 2.65, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-6-(furan-2-yl)pyridazine is sourced from PubChem (CID 25283790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).