4-methyl-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]-N-prop-2-enylbenzenesulfonamide

C32H33N5O3S — CID 46006242

About 4-methyl-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]-N-prop-2-enylbenzenesulfonamide

4-methyl-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]-N-prop-2-enylbenzenesulfonamide (PubChem CID 46006242) has the molecular formula C32H33N5O3S and a molecular weight of 567.72 g/mol. Its IUPAC name is 4-methyl-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]-N-prop-2-enylbenzenesulfonamide.

Molecular Properties

• Compound Name: 4-methyl-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]-N-prop-2-enylbenzenesulfonamide
• PubChem CID: 46006242
• Molecular Formula: C32H33N5O3S
• Molecular Weight: 567.72 g/mol
• Exact Mass: 567.23
• IUPAC Name: 4-methyl-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]-N-prop-2-enylbenzenesulfonamide
• SMILES: C=CCN(CC(=O)N1CCN(c2ccc(-c3ccc(-c4ccccc4)cc3)nn2)CC1)S(=O)(=O)c1ccc(C)cc1
• InChI: InChI=1S/C32H33N5O3S/c1-3-19-37(41(39,40)29-15-9-25(2)10-16-29)24-32(38)36-22-20-35(21-23-36)31-18-17-30(33-34-31)28-13-11-27(12-14-28)26-7-5-4-6-8-26/h3-18H,1,19-24H2,2H3
• InChIKey: YVNSKWHMTGOTPF-UHFFFAOYSA-N
• XLogP: 4.64
• TPSA: 86.71 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	567.72
LogP ≤ 5	4.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]-N-prop-2-enylbenzenesulfonamide?

The IUPAC name of 4-methyl-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]-N-prop-2-enylbenzenesulfonamide (CID 46006242) is 4-methyl-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]-N-prop-2-enylbenzenesulfonamide.

What is the SMILES notation for 4-methyl-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]-N-prop-2-enylbenzenesulfonamide?

The canonical SMILES for 4-methyl-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]-N-prop-2-enylbenzenesulfonamide is C=CCN(CC(=O)N1CCN(c2ccc(-c3ccc(-c4ccccc4)cc3)nn2)CC1)S(=O)(=O)c1ccc(C)cc1.

What is the InChIKey of 4-methyl-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]-N-prop-2-enylbenzenesulfonamide?

The InChIKey is YVNSKWHMTGOTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33N5O3S/c1-3-19-37(41(39,40)29-15-9-25(2)10-16-29)24-32(38)36-22-20-35(21-23-36)31-18-17-30(33-34-31)28-13-11-27(12-14-28)26-7-5-4-6-8-26/h3-18H,1,19-24H2,2H3.

What are the key properties of 4-methyl-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]-N-prop-2-enylbenzenesulfonamide?

4-methyl-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]-N-prop-2-enylbenzenesulfonamide has a molecular weight of 567.72 g/mol, XLogP of 4.64, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]-N-prop-2-enylbenzenesulfonamide is sourced from PubChem (CID 46006242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).