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

C18H19IN2O2S — CID 10837416

IUPAC6-(4-ethylphenyl)-2-(4-iodophenyl)sulfonyl-4,5-dihydro-3H-pyridazine
SMILESCCc1ccc(C2=NN(S(=O)(=O)c3ccc(I)cc3)CCC2)cc1
InChIInChI=1S/C18H19IN2O2S/c1-2-14-5-7-15(8-6-14)18-4-3-13-21(20-18)24(22,23)17-11-9-16(19)10-12-17/h5-12H,2-4,13H2,1H3
InChIKeyCRZALIPYXSKRBL-UHFFFAOYSA-N
MW454.33 g/mol
LogP4.04
Rot. Bonds4

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

6-(4-ethylphenyl)-2-(4-iodophenyl)sulfonyl-4,5-dihydro-3H-pyridazine (PubChem CID 10837416) has the molecular formula C18H19IN2O2S and a molecular weight of 454.33 g/mol. Its IUPAC name is 6-(4-ethylphenyl)-2-(4-iodophenyl)sulfonyl-4,5-dihydro-3H-pyridazine.

Molecular Properties

Compound Name6-(4-ethylphenyl)-2-(4-iodophenyl)sulfonyl-4,5-dihydro-3H-pyridazine
PubChem CID10837416
Molecular FormulaC18H19IN2O2S
Molecular Weight454.33 g/mol
Exact Mass454.02
IUPAC Name6-(4-ethylphenyl)-2-(4-iodophenyl)sulfonyl-4,5-dihydro-3H-pyridazine
SMILESCCc1ccc(C2=NN(S(=O)(=O)c3ccc(I)cc3)CCC2)cc1
InChIInChI=1S/C18H19IN2O2S/c1-2-14-5-7-15(8-6-14)18-4-3-13-21(20-18)24(22,23)17-11-9-16(19)10-12-17/h5-12H,2-4,13H2,1H3
InChIKeyCRZALIPYXSKRBL-UHFFFAOYSA-N
XLogP4.04
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.33
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 6-(4-ethylphenyl)-2-(4-iodophenyl)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-ethylphenyl)-2-(4-iodophenyl)sulfonyl-4,5-dihydro-3H-pyridazine?
The IUPAC name of 6-(4-ethylphenyl)-2-(4-iodophenyl)sulfonyl-4,5-dihydro-3H-pyridazine (CID 10837416) is 6-(4-ethylphenyl)-2-(4-iodophenyl)sulfonyl-4,5-dihydro-3H-pyridazine.
What is the SMILES notation for 6-(4-ethylphenyl)-2-(4-iodophenyl)sulfonyl-4,5-dihydro-3H-pyridazine?
The canonical SMILES for 6-(4-ethylphenyl)-2-(4-iodophenyl)sulfonyl-4,5-dihydro-3H-pyridazine is CCc1ccc(C2=NN(S(=O)(=O)c3ccc(I)cc3)CCC2)cc1.
What is the InChIKey of 6-(4-ethylphenyl)-2-(4-iodophenyl)sulfonyl-4,5-dihydro-3H-pyridazine?
The InChIKey is CRZALIPYXSKRBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19IN2O2S/c1-2-14-5-7-15(8-6-14)18-4-3-13-21(20-18)24(22,23)17-11-9-16(19)10-12-17/h5-12H,2-4,13H2,1H3.
What are the key properties of 6-(4-ethylphenyl)-2-(4-iodophenyl)sulfonyl-4,5-dihydro-3H-pyridazine?
6-(4-ethylphenyl)-2-(4-iodophenyl)sulfonyl-4,5-dihydro-3H-pyridazine has a molecular weight of 454.33 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethylphenyl)-2-(4-iodophenyl)sulfonyl-4,5-dihydro-3H-pyridazine is sourced from PubChem (CID 10837416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).