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

C17H18N4O3S2 — CID 25283809

IUPAC3-(furan-2-yl)-6-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]pyridazine
SMILESCc1ccc(S(=O)(=O)N2CCN(c3ccc(-c4ccco4)nn3)CC2)s1
InChIInChI=1S/C17H18N4O3S2/c1-13-4-7-17(25-13)26(22,23)21-10-8-20(9-11-21)16-6-5-14(18-19-16)15-3-2-12-24-15/h2-7,12H,8-11H2,1H3
InChIKeyGGQYHOQQFSBCPY-UHFFFAOYSA-N
MW390.49 g/mol
LogP2.62
Rot. Bonds4

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

3-(furan-2-yl)-6-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]pyridazine (PubChem CID 25283809) has the molecular formula C17H18N4O3S2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 3-(furan-2-yl)-6-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]pyridazine.

Molecular Properties

Compound Name3-(furan-2-yl)-6-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]pyridazine
PubChem CID25283809
Molecular FormulaC17H18N4O3S2
Molecular Weight390.49 g/mol
Exact Mass390.08
IUPAC Name3-(furan-2-yl)-6-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]pyridazine
SMILESCc1ccc(S(=O)(=O)N2CCN(c3ccc(-c4ccco4)nn3)CC2)s1
InChIInChI=1S/C17H18N4O3S2/c1-13-4-7-17(25-13)26(22,23)21-10-8-20(9-11-21)16-6-5-14(18-19-16)15-3-2-12-24-15/h2-7,12H,8-11H2,1H3
InChIKeyGGQYHOQQFSBCPY-UHFFFAOYSA-N
XLogP2.62
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 52.62
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-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]pyridazine?
The IUPAC name of 3-(furan-2-yl)-6-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]pyridazine (CID 25283809) is 3-(furan-2-yl)-6-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]pyridazine.
What is the SMILES notation for 3-(furan-2-yl)-6-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]pyridazine?
The canonical SMILES for 3-(furan-2-yl)-6-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]pyridazine is Cc1ccc(S(=O)(=O)N2CCN(c3ccc(-c4ccco4)nn3)CC2)s1.
What is the InChIKey of 3-(furan-2-yl)-6-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]pyridazine?
The InChIKey is GGQYHOQQFSBCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3S2/c1-13-4-7-17(25-13)26(22,23)21-10-8-20(9-11-21)16-6-5-14(18-19-16)15-3-2-12-24-15/h2-7,12H,8-11H2,1H3.
What are the key properties of 3-(furan-2-yl)-6-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]pyridazine?
3-(furan-2-yl)-6-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]pyridazine has a molecular weight of 390.49 g/mol, XLogP of 2.62, 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-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]pyridazine is sourced from PubChem (CID 25283809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).