3-(2-propan-2-ylsulfonylphenyl)pyridazine

C13H14N2O2S — CID 67053474

IUPAC3-(2-propan-2-ylsulfonylphenyl)pyridazine
SMILESCC(C)S(=O)(=O)c1ccccc1-c1cccnn1
InChIInChI=1S/C13H14N2O2S/c1-10(2)18(16,17)13-8-4-3-6-11(13)12-7-5-9-14-15-12/h3-10H,1-2H3
InChIKeyPIZAYILZFXWGJQ-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.33
Rot. Bonds3

About 3-(2-propan-2-ylsulfonylphenyl)pyridazine

3-(2-propan-2-ylsulfonylphenyl)pyridazine (PubChem CID 67053474) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is 3-(2-propan-2-ylsulfonylphenyl)pyridazine.

Molecular Properties

Compound Name3-(2-propan-2-ylsulfonylphenyl)pyridazine
PubChem CID67053474
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name3-(2-propan-2-ylsulfonylphenyl)pyridazine
SMILESCC(C)S(=O)(=O)c1ccccc1-c1cccnn1
InChIInChI=1S/C13H14N2O2S/c1-10(2)18(16,17)13-8-4-3-6-11(13)12-7-5-9-14-15-12/h3-10H,1-2H3
InChIKeyPIZAYILZFXWGJQ-UHFFFAOYSA-N
XLogP2.33
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-propan-2-ylsulfonylphenyl)pyridazine?
The IUPAC name of 3-(2-propan-2-ylsulfonylphenyl)pyridazine (CID 67053474) is 3-(2-propan-2-ylsulfonylphenyl)pyridazine.
What is the SMILES notation for 3-(2-propan-2-ylsulfonylphenyl)pyridazine?
The canonical SMILES for 3-(2-propan-2-ylsulfonylphenyl)pyridazine is CC(C)S(=O)(=O)c1ccccc1-c1cccnn1.
What is the InChIKey of 3-(2-propan-2-ylsulfonylphenyl)pyridazine?
The InChIKey is PIZAYILZFXWGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-10(2)18(16,17)13-8-4-3-6-11(13)12-7-5-9-14-15-12/h3-10H,1-2H3.
What are the key properties of 3-(2-propan-2-ylsulfonylphenyl)pyridazine?
3-(2-propan-2-ylsulfonylphenyl)pyridazine has a molecular weight of 262.33 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-propan-2-ylsulfonylphenyl)pyridazine is sourced from PubChem (CID 67053474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).