4-[3-(4-cyclohexylphenyl)-6-oxopyridazin-1-yl]benzenesulfonamide

C22H23N3O3S — CID 127027664

IUPAC4-[3-(4-cyclohexylphenyl)-6-oxopyridazin-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nc(-c3ccc(C4CCCCC4)cc3)ccc2=O)cc1
InChIInChI=1S/C22H23N3O3S/c23-29(27,28)20-12-10-19(11-13-20)25-22(26)15-14-21(24-25)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h6-16H,1-5H2,(H2,23,27,28)
InChIKeyXBXATBPOUKZARK-UHFFFAOYSA-N
MW409.51 g/mol
LogP3.59
Rot. Bonds4

About 4-[3-(4-cyclohexylphenyl)-6-oxopyridazin-1-yl]benzenesulfonamide

4-[3-(4-cyclohexylphenyl)-6-oxopyridazin-1-yl]benzenesulfonamide (PubChem CID 127027664) has the molecular formula C22H23N3O3S and a molecular weight of 409.51 g/mol. Its IUPAC name is 4-[3-(4-cyclohexylphenyl)-6-oxopyridazin-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-(4-cyclohexylphenyl)-6-oxopyridazin-1-yl]benzenesulfonamide
PubChem CID127027664
Molecular FormulaC22H23N3O3S
Molecular Weight409.51 g/mol
Exact Mass409.15
IUPAC Name4-[3-(4-cyclohexylphenyl)-6-oxopyridazin-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nc(-c3ccc(C4CCCCC4)cc3)ccc2=O)cc1
InChIInChI=1S/C22H23N3O3S/c23-29(27,28)20-12-10-19(11-13-20)25-22(26)15-14-21(24-25)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h6-16H,1-5H2,(H2,23,27,28)
InChIKeyXBXATBPOUKZARK-UHFFFAOYSA-N
XLogP3.59
TPSA95.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-cyclohexylphenyl)-6-oxopyridazin-1-yl]benzenesulfonamide?
The IUPAC name of 4-[3-(4-cyclohexylphenyl)-6-oxopyridazin-1-yl]benzenesulfonamide (CID 127027664) is 4-[3-(4-cyclohexylphenyl)-6-oxopyridazin-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[3-(4-cyclohexylphenyl)-6-oxopyridazin-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[3-(4-cyclohexylphenyl)-6-oxopyridazin-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-n2nc(-c3ccc(C4CCCCC4)cc3)ccc2=O)cc1.
What is the InChIKey of 4-[3-(4-cyclohexylphenyl)-6-oxopyridazin-1-yl]benzenesulfonamide?
The InChIKey is XBXATBPOUKZARK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3S/c23-29(27,28)20-12-10-19(11-13-20)25-22(26)15-14-21(24-25)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h6-16H,1-5H2,(H2,23,27,28).
What are the key properties of 4-[3-(4-cyclohexylphenyl)-6-oxopyridazin-1-yl]benzenesulfonamide?
4-[3-(4-cyclohexylphenyl)-6-oxopyridazin-1-yl]benzenesulfonamide has a molecular weight of 409.51 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-cyclohexylphenyl)-6-oxopyridazin-1-yl]benzenesulfonamide is sourced from PubChem (CID 127027664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).