3-(4-benzylsulfonylpiperazin-1-yl)pyridazine

C15H18N4O2S — CID 121060992

IUPAC3-(4-benzylsulfonylpiperazin-1-yl)pyridazine
SMILESO=S(=O)(Cc1ccccc1)N1CCN(c2cccnn2)CC1
InChIInChI=1S/C15H18N4O2S/c20-22(21,13-14-5-2-1-3-6-14)19-11-9-18(10-12-19)15-7-4-8-16-17-15/h1-8H,9-13H2
InChIKeyMDMMRTJLFFKRAA-UHFFFAOYSA-N
MW318.40 g/mol
LogP1.13
Rot. Bonds4

About 3-(4-benzylsulfonylpiperazin-1-yl)pyridazine

3-(4-benzylsulfonylpiperazin-1-yl)pyridazine (PubChem CID 121060992) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is 3-(4-benzylsulfonylpiperazin-1-yl)pyridazine.

Molecular Properties

Compound Name3-(4-benzylsulfonylpiperazin-1-yl)pyridazine
PubChem CID121060992
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC Name3-(4-benzylsulfonylpiperazin-1-yl)pyridazine
SMILESO=S(=O)(Cc1ccccc1)N1CCN(c2cccnn2)CC1
InChIInChI=1S/C15H18N4O2S/c20-22(21,13-14-5-2-1-3-6-14)19-11-9-18(10-12-19)15-7-4-8-16-17-15/h1-8H,9-13H2
InChIKeyMDMMRTJLFFKRAA-UHFFFAOYSA-N
XLogP1.13
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-benzylsulfonylpiperazin-1-yl)pyridazine?
The IUPAC name of 3-(4-benzylsulfonylpiperazin-1-yl)pyridazine (CID 121060992) is 3-(4-benzylsulfonylpiperazin-1-yl)pyridazine.
What is the SMILES notation for 3-(4-benzylsulfonylpiperazin-1-yl)pyridazine?
The canonical SMILES for 3-(4-benzylsulfonylpiperazin-1-yl)pyridazine is O=S(=O)(Cc1ccccc1)N1CCN(c2cccnn2)CC1.
What is the InChIKey of 3-(4-benzylsulfonylpiperazin-1-yl)pyridazine?
The InChIKey is MDMMRTJLFFKRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S/c20-22(21,13-14-5-2-1-3-6-14)19-11-9-18(10-12-19)15-7-4-8-16-17-15/h1-8H,9-13H2.
What are the key properties of 3-(4-benzylsulfonylpiperazin-1-yl)pyridazine?
3-(4-benzylsulfonylpiperazin-1-yl)pyridazine has a molecular weight of 318.40 g/mol, XLogP of 1.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzylsulfonylpiperazin-1-yl)pyridazine is sourced from PubChem (CID 121060992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).