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

C23H30N2O2S — CID 10572969

IUPAC2-(4-butylphenyl)sulfonyl-6-(4-propan-2-ylphenyl)-4,5-dihydro-3H-pyridazine
SMILESCCCCc1ccc(S(=O)(=O)N2CCCC(c3ccc(C(C)C)cc3)=N2)cc1
InChIInChI=1S/C23H30N2O2S/c1-4-5-7-19-9-15-22(16-10-19)28(26,27)25-17-6-8-23(24-25)21-13-11-20(12-14-21)18(2)3/h9-16,18H,4-8,17H2,1-3H3
InChIKeyHREWHYIRHNFQJJ-UHFFFAOYSA-N
MW398.57 g/mol
LogP5.34
Rot. Bonds7

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

2-(4-butylphenyl)sulfonyl-6-(4-propan-2-ylphenyl)-4,5-dihydro-3H-pyridazine (PubChem CID 10572969) has the molecular formula C23H30N2O2S and a molecular weight of 398.57 g/mol. Its IUPAC name is 2-(4-butylphenyl)sulfonyl-6-(4-propan-2-ylphenyl)-4,5-dihydro-3H-pyridazine.

Molecular Properties

Compound Name2-(4-butylphenyl)sulfonyl-6-(4-propan-2-ylphenyl)-4,5-dihydro-3H-pyridazine
PubChem CID10572969
Molecular FormulaC23H30N2O2S
Molecular Weight398.57 g/mol
Exact Mass398.20
IUPAC Name2-(4-butylphenyl)sulfonyl-6-(4-propan-2-ylphenyl)-4,5-dihydro-3H-pyridazine
SMILESCCCCc1ccc(S(=O)(=O)N2CCCC(c3ccc(C(C)C)cc3)=N2)cc1
InChIInChI=1S/C23H30N2O2S/c1-4-5-7-19-9-15-22(16-10-19)28(26,27)25-17-6-8-23(24-25)21-13-11-20(12-14-21)18(2)3/h9-16,18H,4-8,17H2,1-3H3
InChIKeyHREWHYIRHNFQJJ-UHFFFAOYSA-N
XLogP5.34
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.57
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(4-butylphenyl)sulfonyl-6-(4-propan-2-ylphenyl)-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 2-(4-butylphenyl)sulfonyl-6-(4-propan-2-ylphenyl)-4,5-dihydro-3H-pyridazine?
The IUPAC name of 2-(4-butylphenyl)sulfonyl-6-(4-propan-2-ylphenyl)-4,5-dihydro-3H-pyridazine (CID 10572969) is 2-(4-butylphenyl)sulfonyl-6-(4-propan-2-ylphenyl)-4,5-dihydro-3H-pyridazine.
What is the SMILES notation for 2-(4-butylphenyl)sulfonyl-6-(4-propan-2-ylphenyl)-4,5-dihydro-3H-pyridazine?
The canonical SMILES for 2-(4-butylphenyl)sulfonyl-6-(4-propan-2-ylphenyl)-4,5-dihydro-3H-pyridazine is CCCCc1ccc(S(=O)(=O)N2CCCC(c3ccc(C(C)C)cc3)=N2)cc1.
What is the InChIKey of 2-(4-butylphenyl)sulfonyl-6-(4-propan-2-ylphenyl)-4,5-dihydro-3H-pyridazine?
The InChIKey is HREWHYIRHNFQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2S/c1-4-5-7-19-9-15-22(16-10-19)28(26,27)25-17-6-8-23(24-25)21-13-11-20(12-14-21)18(2)3/h9-16,18H,4-8,17H2,1-3H3.
What are the key properties of 2-(4-butylphenyl)sulfonyl-6-(4-propan-2-ylphenyl)-4,5-dihydro-3H-pyridazine?
2-(4-butylphenyl)sulfonyl-6-(4-propan-2-ylphenyl)-4,5-dihydro-3H-pyridazine has a molecular weight of 398.57 g/mol, XLogP of 5.34, 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-propan-2-ylphenyl)-4,5-dihydro-3H-pyridazine is sourced from PubChem (CID 10572969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).