3-(benzenesulfonyl)-6-piperidin-1-ylpyridazine

C15H17N3O2S — CID 53033983

IUPAC3-(benzenesulfonyl)-6-piperidin-1-ylpyridazine
SMILESO=S(=O)(c1ccccc1)c1ccc(N2CCCCC2)nn1
InChIInChI=1S/C15H17N3O2S/c19-21(20,13-7-3-1-4-8-13)15-10-9-14(16-17-15)18-11-5-2-6-12-18/h1,3-4,7-10H,2,5-6,11-12H2
InChIKeyFLCSXTGJANPISH-UHFFFAOYSA-N
MW303.39 g/mol
LogP2.30
Rot. Bonds3

About 3-(benzenesulfonyl)-6-piperidin-1-ylpyridazine

3-(benzenesulfonyl)-6-piperidin-1-ylpyridazine (PubChem CID 53033983) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-6-piperidin-1-ylpyridazine.

Molecular Properties

Compound Name3-(benzenesulfonyl)-6-piperidin-1-ylpyridazine
PubChem CID53033983
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC Name3-(benzenesulfonyl)-6-piperidin-1-ylpyridazine
SMILESO=S(=O)(c1ccccc1)c1ccc(N2CCCCC2)nn1
InChIInChI=1S/C15H17N3O2S/c19-21(20,13-7-3-1-4-8-13)15-10-9-14(16-17-15)18-11-5-2-6-12-18/h1,3-4,7-10H,2,5-6,11-12H2
InChIKeyFLCSXTGJANPISH-UHFFFAOYSA-N
XLogP2.30
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-6-piperidin-1-ylpyridazine?
The IUPAC name of 3-(benzenesulfonyl)-6-piperidin-1-ylpyridazine (CID 53033983) is 3-(benzenesulfonyl)-6-piperidin-1-ylpyridazine.
What is the SMILES notation for 3-(benzenesulfonyl)-6-piperidin-1-ylpyridazine?
The canonical SMILES for 3-(benzenesulfonyl)-6-piperidin-1-ylpyridazine is O=S(=O)(c1ccccc1)c1ccc(N2CCCCC2)nn1.
What is the InChIKey of 3-(benzenesulfonyl)-6-piperidin-1-ylpyridazine?
The InChIKey is FLCSXTGJANPISH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c19-21(20,13-7-3-1-4-8-13)15-10-9-14(16-17-15)18-11-5-2-6-12-18/h1,3-4,7-10H,2,5-6,11-12H2.
What are the key properties of 3-(benzenesulfonyl)-6-piperidin-1-ylpyridazine?
3-(benzenesulfonyl)-6-piperidin-1-ylpyridazine has a molecular weight of 303.39 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-6-piperidin-1-ylpyridazine is sourced from PubChem (CID 53033983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).