3-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-6-thiophen-2-ylpyridazine

C18H20N4O2S3 — CID 25283852

IUPAC3-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-6-thiophen-2-ylpyridazine
SMILESCCc1ccc(S(=O)(=O)N2CCN(c3ccc(-c4cccs4)nn3)CC2)s1
InChIInChI=1S/C18H20N4O2S3/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
InChIKeyGJSMOWQYEXQVJE-UHFFFAOYSA-N
MW420.59 g/mol
LogP3.34
Rot. Bonds5

About 3-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-6-thiophen-2-ylpyridazine

3-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-6-thiophen-2-ylpyridazine (PubChem CID 25283852) has the molecular formula C18H20N4O2S3 and a molecular weight of 420.59 g/mol. Its IUPAC name is 3-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-6-thiophen-2-ylpyridazine.

Molecular Properties

Compound Name3-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-6-thiophen-2-ylpyridazine
PubChem CID25283852
Molecular FormulaC18H20N4O2S3
Molecular Weight420.59 g/mol
Exact Mass420.07
IUPAC Name3-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-6-thiophen-2-ylpyridazine
SMILESCCc1ccc(S(=O)(=O)N2CCN(c3ccc(-c4cccs4)nn3)CC2)s1
InChIInChI=1S/C18H20N4O2S3/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
InChIKeyGJSMOWQYEXQVJE-UHFFFAOYSA-N
XLogP3.34
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.59
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-6-thiophen-2-ylpyridazine?
The IUPAC name of 3-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-6-thiophen-2-ylpyridazine (CID 25283852) is 3-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-6-thiophen-2-ylpyridazine.
What is the SMILES notation for 3-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-6-thiophen-2-ylpyridazine?
The canonical SMILES for 3-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-6-thiophen-2-ylpyridazine is CCc1ccc(S(=O)(=O)N2CCN(c3ccc(-c4cccs4)nn3)CC2)s1.
What is the InChIKey of 3-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-6-thiophen-2-ylpyridazine?
The InChIKey is GJSMOWQYEXQVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S3/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-thiophen-2-ylpyridazine?
3-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-6-thiophen-2-ylpyridazine has a molecular weight of 420.59 g/mol, XLogP of 3.34, 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-thiophen-2-ylpyridazine is sourced from PubChem (CID 25283852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).