3-(furan-2-yl)-6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)pyridazine

C16H16N4O3S2 — CID 25283801

IUPAC3-(furan-2-yl)-6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)pyridazine
SMILESO=S(=O)(c1cccs1)N1CCN(c2ccc(-c3ccco3)nn2)CC1
InChIInChI=1S/C16H16N4O3S2/c21-25(22,16-4-2-12-24-16)20-9-7-19(8-10-20)15-6-5-13(17-18-15)14-3-1-11-23-14/h1-6,11-12H,7-10H2
InChIKeyGPIPSHCIRAUDGL-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.31
Rot. Bonds4

About 3-(furan-2-yl)-6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)pyridazine

3-(furan-2-yl)-6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)pyridazine (PubChem CID 25283801) has the molecular formula C16H16N4O3S2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 3-(furan-2-yl)-6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)pyridazine.

Molecular Properties

Compound Name3-(furan-2-yl)-6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)pyridazine
PubChem CID25283801
Molecular FormulaC16H16N4O3S2
Molecular Weight376.46 g/mol
Exact Mass376.07
IUPAC Name3-(furan-2-yl)-6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)pyridazine
SMILESO=S(=O)(c1cccs1)N1CCN(c2ccc(-c3ccco3)nn2)CC1
InChIInChI=1S/C16H16N4O3S2/c21-25(22,16-4-2-12-24-16)20-9-7-19(8-10-20)15-6-5-13(17-18-15)14-3-1-11-23-14/h1-6,11-12H,7-10H2
InChIKeyGPIPSHCIRAUDGL-UHFFFAOYSA-N
XLogP2.31
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)pyridazine?
The IUPAC name of 3-(furan-2-yl)-6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)pyridazine (CID 25283801) is 3-(furan-2-yl)-6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)pyridazine.
What is the SMILES notation for 3-(furan-2-yl)-6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)pyridazine?
The canonical SMILES for 3-(furan-2-yl)-6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)pyridazine is O=S(=O)(c1cccs1)N1CCN(c2ccc(-c3ccco3)nn2)CC1.
What is the InChIKey of 3-(furan-2-yl)-6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)pyridazine?
The InChIKey is GPIPSHCIRAUDGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3S2/c21-25(22,16-4-2-12-24-16)20-9-7-19(8-10-20)15-6-5-13(17-18-15)14-3-1-11-23-14/h1-6,11-12H,7-10H2.
What are the key properties of 3-(furan-2-yl)-6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)pyridazine?
3-(furan-2-yl)-6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)pyridazine has a molecular weight of 376.46 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)pyridazine is sourced from PubChem (CID 25283801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).