3-(4-pyridin-3-ylsulfonylpiperazin-1-yl)-6-thiophen-2-ylpyridazine

C17H17N5O2S2 — CID 25283848

IUPAC3-(4-pyridin-3-ylsulfonylpiperazin-1-yl)-6-thiophen-2-ylpyridazine
SMILESO=S(=O)(c1cccnc1)N1CCN(c2ccc(-c3cccs3)nn2)CC1
InChIInChI=1S/C17H17N5O2S2/c23-26(24,14-3-1-7-18-13-14)22-10-8-21(9-11-22)17-6-5-15(19-20-17)16-4-2-12-25-16/h1-7,12-13H,8-11H2
InChIKeyNWTBHHFKSIOSET-UHFFFAOYSA-N
MW387.49 g/mol
LogP2.11
Rot. Bonds4

About 3-(4-pyridin-3-ylsulfonylpiperazin-1-yl)-6-thiophen-2-ylpyridazine

3-(4-pyridin-3-ylsulfonylpiperazin-1-yl)-6-thiophen-2-ylpyridazine (PubChem CID 25283848) has the molecular formula C17H17N5O2S2 and a molecular weight of 387.49 g/mol. Its IUPAC name is 3-(4-pyridin-3-ylsulfonylpiperazin-1-yl)-6-thiophen-2-ylpyridazine.

Molecular Properties

Compound Name3-(4-pyridin-3-ylsulfonylpiperazin-1-yl)-6-thiophen-2-ylpyridazine
PubChem CID25283848
Molecular FormulaC17H17N5O2S2
Molecular Weight387.49 g/mol
Exact Mass387.08
IUPAC Name3-(4-pyridin-3-ylsulfonylpiperazin-1-yl)-6-thiophen-2-ylpyridazine
SMILESO=S(=O)(c1cccnc1)N1CCN(c2ccc(-c3cccs3)nn2)CC1
InChIInChI=1S/C17H17N5O2S2/c23-26(24,14-3-1-7-18-13-14)22-10-8-21(9-11-22)17-6-5-15(19-20-17)16-4-2-12-25-16/h1-7,12-13H,8-11H2
InChIKeyNWTBHHFKSIOSET-UHFFFAOYSA-N
XLogP2.11
TPSA79.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(4-pyridin-3-ylsulfonylpiperazin-1-yl)-6-thiophen-2-ylpyridazine?
The IUPAC name of 3-(4-pyridin-3-ylsulfonylpiperazin-1-yl)-6-thiophen-2-ylpyridazine (CID 25283848) is 3-(4-pyridin-3-ylsulfonylpiperazin-1-yl)-6-thiophen-2-ylpyridazine.
What is the SMILES notation for 3-(4-pyridin-3-ylsulfonylpiperazin-1-yl)-6-thiophen-2-ylpyridazine?
The canonical SMILES for 3-(4-pyridin-3-ylsulfonylpiperazin-1-yl)-6-thiophen-2-ylpyridazine is O=S(=O)(c1cccnc1)N1CCN(c2ccc(-c3cccs3)nn2)CC1.
What is the InChIKey of 3-(4-pyridin-3-ylsulfonylpiperazin-1-yl)-6-thiophen-2-ylpyridazine?
The InChIKey is NWTBHHFKSIOSET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2S2/c23-26(24,14-3-1-7-18-13-14)22-10-8-21(9-11-22)17-6-5-15(19-20-17)16-4-2-12-25-16/h1-7,12-13H,8-11H2.
What are the key properties of 3-(4-pyridin-3-ylsulfonylpiperazin-1-yl)-6-thiophen-2-ylpyridazine?
3-(4-pyridin-3-ylsulfonylpiperazin-1-yl)-6-thiophen-2-ylpyridazine has a molecular weight of 387.49 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-pyridin-3-ylsulfonylpiperazin-1-yl)-6-thiophen-2-ylpyridazine is sourced from PubChem (CID 25283848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).