2-(4-butylphenyl)sulfonyl-6-(4-ethylphenyl)-4,5-dihydro-3H-pyridazine

C22H28N2O2S — CID 10572108

IUPAC2-(4-butylphenyl)sulfonyl-6-(4-ethylphenyl)-4,5-dihydro-3H-pyridazine
SMILESCCCCc1ccc(S(=O)(=O)N2CCCC(c3ccc(CC)cc3)=N2)cc1
InChIInChI=1S/C22H28N2O2S/c1-3-5-7-19-11-15-21(16-12-19)27(25,26)24-17-6-8-22(23-24)20-13-9-18(4-2)10-14-20/h9-16H,3-8,17H2,1-2H3
InChIKeyPCFDOMDKMILPIA-UHFFFAOYSA-N
MW384.55 g/mol
LogP4.78
Rot. Bonds7

About 2-(4-butylphenyl)sulfonyl-6-(4-ethylphenyl)-4,5-dihydro-3H-pyridazine

2-(4-butylphenyl)sulfonyl-6-(4-ethylphenyl)-4,5-dihydro-3H-pyridazine (PubChem CID 10572108) has the molecular formula C22H28N2O2S and a molecular weight of 384.55 g/mol. Its IUPAC name is 2-(4-butylphenyl)sulfonyl-6-(4-ethylphenyl)-4,5-dihydro-3H-pyridazine.

Molecular Properties

Compound Name2-(4-butylphenyl)sulfonyl-6-(4-ethylphenyl)-4,5-dihydro-3H-pyridazine
PubChem CID10572108
Molecular FormulaC22H28N2O2S
Molecular Weight384.55 g/mol
Exact Mass384.19
IUPAC Name2-(4-butylphenyl)sulfonyl-6-(4-ethylphenyl)-4,5-dihydro-3H-pyridazine
SMILESCCCCc1ccc(S(=O)(=O)N2CCCC(c3ccc(CC)cc3)=N2)cc1
InChIInChI=1S/C22H28N2O2S/c1-3-5-7-19-11-15-21(16-12-19)27(25,26)24-17-6-8-22(23-24)20-13-9-18(4-2)10-14-20/h9-16H,3-8,17H2,1-2H3
InChIKeyPCFDOMDKMILPIA-UHFFFAOYSA-N
XLogP4.78
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.55
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-butylphenyl)sulfonyl-6-(4-ethylphenyl)-4,5-dihydro-3H-pyridazine?
The IUPAC name of 2-(4-butylphenyl)sulfonyl-6-(4-ethylphenyl)-4,5-dihydro-3H-pyridazine (CID 10572108) is 2-(4-butylphenyl)sulfonyl-6-(4-ethylphenyl)-4,5-dihydro-3H-pyridazine.
What is the SMILES notation for 2-(4-butylphenyl)sulfonyl-6-(4-ethylphenyl)-4,5-dihydro-3H-pyridazine?
The canonical SMILES for 2-(4-butylphenyl)sulfonyl-6-(4-ethylphenyl)-4,5-dihydro-3H-pyridazine is CCCCc1ccc(S(=O)(=O)N2CCCC(c3ccc(CC)cc3)=N2)cc1.
What is the InChIKey of 2-(4-butylphenyl)sulfonyl-6-(4-ethylphenyl)-4,5-dihydro-3H-pyridazine?
The InChIKey is PCFDOMDKMILPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2S/c1-3-5-7-19-11-15-21(16-12-19)27(25,26)24-17-6-8-22(23-24)20-13-9-18(4-2)10-14-20/h9-16H,3-8,17H2,1-2H3.
What are the key properties of 2-(4-butylphenyl)sulfonyl-6-(4-ethylphenyl)-4,5-dihydro-3H-pyridazine?
2-(4-butylphenyl)sulfonyl-6-(4-ethylphenyl)-4,5-dihydro-3H-pyridazine has a molecular weight of 384.55 g/mol, XLogP of 4.78, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butylphenyl)sulfonyl-6-(4-ethylphenyl)-4,5-dihydro-3H-pyridazine is sourced from PubChem (CID 10572108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).