3-methyl-6-[(4-propan-2-ylphenyl)sulfonylmethyl]pyridazine

C15H18N2O2S — CID 162042485

IUPAC3-methyl-6-[(4-propan-2-ylphenyl)sulfonylmethyl]pyridazine
SMILESCc1ccc(CS(=O)(=O)c2ccc(C(C)C)cc2)nn1
InChIInChI=1S/C15H18N2O2S/c1-11(2)13-5-8-15(9-6-13)20(18,19)10-14-7-4-12(3)16-17-14/h4-9,11H,10H2,1-3H3
InChIKeyCYHBXLLQQIJZPG-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.88
Rot. Bonds4

About 3-methyl-6-[(4-propan-2-ylphenyl)sulfonylmethyl]pyridazine

3-methyl-6-[(4-propan-2-ylphenyl)sulfonylmethyl]pyridazine (PubChem CID 162042485) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 3-methyl-6-[(4-propan-2-ylphenyl)sulfonylmethyl]pyridazine.

Molecular Properties

Compound Name3-methyl-6-[(4-propan-2-ylphenyl)sulfonylmethyl]pyridazine
PubChem CID162042485
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name3-methyl-6-[(4-propan-2-ylphenyl)sulfonylmethyl]pyridazine
SMILESCc1ccc(CS(=O)(=O)c2ccc(C(C)C)cc2)nn1
InChIInChI=1S/C15H18N2O2S/c1-11(2)13-5-8-15(9-6-13)20(18,19)10-14-7-4-12(3)16-17-14/h4-9,11H,10H2,1-3H3
InChIKeyCYHBXLLQQIJZPG-UHFFFAOYSA-N
XLogP2.88
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-[(4-propan-2-ylphenyl)sulfonylmethyl]pyridazine?
The IUPAC name of 3-methyl-6-[(4-propan-2-ylphenyl)sulfonylmethyl]pyridazine (CID 162042485) is 3-methyl-6-[(4-propan-2-ylphenyl)sulfonylmethyl]pyridazine.
What is the SMILES notation for 3-methyl-6-[(4-propan-2-ylphenyl)sulfonylmethyl]pyridazine?
The canonical SMILES for 3-methyl-6-[(4-propan-2-ylphenyl)sulfonylmethyl]pyridazine is Cc1ccc(CS(=O)(=O)c2ccc(C(C)C)cc2)nn1.
What is the InChIKey of 3-methyl-6-[(4-propan-2-ylphenyl)sulfonylmethyl]pyridazine?
The InChIKey is CYHBXLLQQIJZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-11(2)13-5-8-15(9-6-13)20(18,19)10-14-7-4-12(3)16-17-14/h4-9,11H,10H2,1-3H3.
What are the key properties of 3-methyl-6-[(4-propan-2-ylphenyl)sulfonylmethyl]pyridazine?
3-methyl-6-[(4-propan-2-ylphenyl)sulfonylmethyl]pyridazine has a molecular weight of 290.39 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-[(4-propan-2-ylphenyl)sulfonylmethyl]pyridazine is sourced from PubChem (CID 162042485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).