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

C24H32N2O2S — CID 10454374

IUPAC6-(4-butylphenyl)-2-(4-butylphenyl)sulfonyl-4,5-dihydro-3H-pyridazine
SMILESCCCCc1ccc(C2=NN(S(=O)(=O)c3ccc(CCCC)cc3)CCC2)cc1
InChIInChI=1S/C24H32N2O2S/c1-3-5-8-20-11-15-22(16-12-20)24-10-7-19-26(25-24)29(27,28)23-17-13-21(14-18-23)9-6-4-2/h11-18H,3-10,19H2,1-2H3
InChIKeyXWHKRVIJWNWBMW-UHFFFAOYSA-N
MW412.60 g/mol
LogP5.56
Rot. Bonds9

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

6-(4-butylphenyl)-2-(4-butylphenyl)sulfonyl-4,5-dihydro-3H-pyridazine (PubChem CID 10454374) has the molecular formula C24H32N2O2S and a molecular weight of 412.60 g/mol. Its IUPAC name is 6-(4-butylphenyl)-2-(4-butylphenyl)sulfonyl-4,5-dihydro-3H-pyridazine.

Molecular Properties

Compound Name6-(4-butylphenyl)-2-(4-butylphenyl)sulfonyl-4,5-dihydro-3H-pyridazine
PubChem CID10454374
Molecular FormulaC24H32N2O2S
Molecular Weight412.60 g/mol
Exact Mass412.22
IUPAC Name6-(4-butylphenyl)-2-(4-butylphenyl)sulfonyl-4,5-dihydro-3H-pyridazine
SMILESCCCCc1ccc(C2=NN(S(=O)(=O)c3ccc(CCCC)cc3)CCC2)cc1
InChIInChI=1S/C24H32N2O2S/c1-3-5-8-20-11-15-22(16-12-20)24-10-7-19-26(25-24)29(27,28)23-17-13-21(14-18-23)9-6-4-2/h11-18H,3-10,19H2,1-2H3
InChIKeyXWHKRVIJWNWBMW-UHFFFAOYSA-N
XLogP5.56
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.60
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-(4-butylphenyl)-2-(4-butylphenyl)sulfonyl-4,5-dihydro-3H-pyridazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(4-butylphenyl)-2-(4-butylphenyl)sulfonyl-4,5-dihydro-3H-pyridazine?
The IUPAC name of 6-(4-butylphenyl)-2-(4-butylphenyl)sulfonyl-4,5-dihydro-3H-pyridazine (CID 10454374) is 6-(4-butylphenyl)-2-(4-butylphenyl)sulfonyl-4,5-dihydro-3H-pyridazine.
What is the SMILES notation for 6-(4-butylphenyl)-2-(4-butylphenyl)sulfonyl-4,5-dihydro-3H-pyridazine?
The canonical SMILES for 6-(4-butylphenyl)-2-(4-butylphenyl)sulfonyl-4,5-dihydro-3H-pyridazine is CCCCc1ccc(C2=NN(S(=O)(=O)c3ccc(CCCC)cc3)CCC2)cc1.
What is the InChIKey of 6-(4-butylphenyl)-2-(4-butylphenyl)sulfonyl-4,5-dihydro-3H-pyridazine?
The InChIKey is XWHKRVIJWNWBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O2S/c1-3-5-8-20-11-15-22(16-12-20)24-10-7-19-26(25-24)29(27,28)23-17-13-21(14-18-23)9-6-4-2/h11-18H,3-10,19H2,1-2H3.
What are the key properties of 6-(4-butylphenyl)-2-(4-butylphenyl)sulfonyl-4,5-dihydro-3H-pyridazine?
6-(4-butylphenyl)-2-(4-butylphenyl)sulfonyl-4,5-dihydro-3H-pyridazine has a molecular weight of 412.60 g/mol, XLogP of 5.56, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-butylphenyl)-2-(4-butylphenyl)sulfonyl-4,5-dihydro-3H-pyridazine is sourced from PubChem (CID 10454374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).