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

C20H24N2O2S — CID 10570269

IUPAC2-(benzenesulfonyl)-6-(4-butylphenyl)-4,5-dihydro-3H-pyridazine
SMILESCCCCc1ccc(C2=NN(S(=O)(=O)c3ccccc3)CCC2)cc1
InChIInChI=1S/C20H24N2O2S/c1-2-3-8-17-12-14-18(15-13-17)20-11-7-16-22(21-20)25(23,24)19-9-5-4-6-10-19/h4-6,9-10,12-15H,2-3,7-8,11,16H2,1H3
InChIKeyXJYTYUUOVHXTNL-UHFFFAOYSA-N
MW356.49 g/mol
LogP4.22
Rot. Bonds6

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

2-(benzenesulfonyl)-6-(4-butylphenyl)-4,5-dihydro-3H-pyridazine (PubChem CID 10570269) has the molecular formula C20H24N2O2S and a molecular weight of 356.49 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-6-(4-butylphenyl)-4,5-dihydro-3H-pyridazine.

Molecular Properties

Compound Name2-(benzenesulfonyl)-6-(4-butylphenyl)-4,5-dihydro-3H-pyridazine
PubChem CID10570269
Molecular FormulaC20H24N2O2S
Molecular Weight356.49 g/mol
Exact Mass356.16
IUPAC Name2-(benzenesulfonyl)-6-(4-butylphenyl)-4,5-dihydro-3H-pyridazine
SMILESCCCCc1ccc(C2=NN(S(=O)(=O)c3ccccc3)CCC2)cc1
InChIInChI=1S/C20H24N2O2S/c1-2-3-8-17-12-14-18(15-13-17)20-11-7-16-22(21-20)25(23,24)19-9-5-4-6-10-19/h4-6,9-10,12-15H,2-3,7-8,11,16H2,1H3
InChIKeyXJYTYUUOVHXTNL-UHFFFAOYSA-N
XLogP4.22
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-6-(4-butylphenyl)-4,5-dihydro-3H-pyridazine?
The IUPAC name of 2-(benzenesulfonyl)-6-(4-butylphenyl)-4,5-dihydro-3H-pyridazine (CID 10570269) is 2-(benzenesulfonyl)-6-(4-butylphenyl)-4,5-dihydro-3H-pyridazine.
What is the SMILES notation for 2-(benzenesulfonyl)-6-(4-butylphenyl)-4,5-dihydro-3H-pyridazine?
The canonical SMILES for 2-(benzenesulfonyl)-6-(4-butylphenyl)-4,5-dihydro-3H-pyridazine is CCCCc1ccc(C2=NN(S(=O)(=O)c3ccccc3)CCC2)cc1.
What is the InChIKey of 2-(benzenesulfonyl)-6-(4-butylphenyl)-4,5-dihydro-3H-pyridazine?
The InChIKey is XJYTYUUOVHXTNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2S/c1-2-3-8-17-12-14-18(15-13-17)20-11-7-16-22(21-20)25(23,24)19-9-5-4-6-10-19/h4-6,9-10,12-15H,2-3,7-8,11,16H2,1H3.
What are the key properties of 2-(benzenesulfonyl)-6-(4-butylphenyl)-4,5-dihydro-3H-pyridazine?
2-(benzenesulfonyl)-6-(4-butylphenyl)-4,5-dihydro-3H-pyridazine has a molecular weight of 356.49 g/mol, XLogP of 4.22, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-6-(4-butylphenyl)-4,5-dihydro-3H-pyridazine is sourced from PubChem (CID 10570269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).