3-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-6-(furan-2-yl)pyridazine

C18H20N4O3S2 — CID 25283804

IUPAC3-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-6-(furan-2-yl)pyridazine
SMILESCCc1ccc(S(=O)(=O)N2CCN(c3ccc(-c4ccco4)nn3)CC2)s1
InChIInChI=1S/C18H20N4O3S2/c1-2-14-5-8-18(26-14)27(23,24)22-11-9-21(10-12-22)17-7-6-15(19-20-17)16-4-3-13-25-16/h3-8,13H,2,9-12H2,1H3
InChIKeyGIPGCKKPSFOYPA-UHFFFAOYSA-N
MW404.52 g/mol
LogP2.87
Rot. Bonds5

About 3-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-6-(furan-2-yl)pyridazine

3-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-6-(furan-2-yl)pyridazine (PubChem CID 25283804) has the molecular formula C18H20N4O3S2 and a molecular weight of 404.52 g/mol. Its IUPAC name is 3-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-6-(furan-2-yl)pyridazine.

Molecular Properties

Compound Name3-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-6-(furan-2-yl)pyridazine
PubChem CID25283804
Molecular FormulaC18H20N4O3S2
Molecular Weight404.52 g/mol
Exact Mass404.10
IUPAC Name3-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-6-(furan-2-yl)pyridazine
SMILESCCc1ccc(S(=O)(=O)N2CCN(c3ccc(-c4ccco4)nn3)CC2)s1
InChIInChI=1S/C18H20N4O3S2/c1-2-14-5-8-18(26-14)27(23,24)22-11-9-21(10-12-22)17-7-6-15(19-20-17)16-4-3-13-25-16/h3-8,13H,2,9-12H2,1H3
InChIKeyGIPGCKKPSFOYPA-UHFFFAOYSA-N
XLogP2.87
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.52
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-6-(furan-2-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

Frequently Asked Questions

What is the IUPAC name of 3-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-6-(furan-2-yl)pyridazine?
The IUPAC name of 3-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-6-(furan-2-yl)pyridazine (CID 25283804) is 3-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-6-(furan-2-yl)pyridazine.
What is the SMILES notation for 3-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-6-(furan-2-yl)pyridazine?
The canonical SMILES for 3-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-6-(furan-2-yl)pyridazine is CCc1ccc(S(=O)(=O)N2CCN(c3ccc(-c4ccco4)nn3)CC2)s1.
What is the InChIKey of 3-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-6-(furan-2-yl)pyridazine?
The InChIKey is GIPGCKKPSFOYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3S2/c1-2-14-5-8-18(26-14)27(23,24)22-11-9-21(10-12-22)17-7-6-15(19-20-17)16-4-3-13-25-16/h3-8,13H,2,9-12H2,1H3.
What are the key properties of 3-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-6-(furan-2-yl)pyridazine?
3-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-6-(furan-2-yl)pyridazine has a molecular weight of 404.52 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-6-(furan-2-yl)pyridazine is sourced from PubChem (CID 25283804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).