4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N-prop-2-enylbenzenesulfonamide

C₂₁H₂₅N₃O₄S — CID 9158819

About 4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N-prop-2-enylbenzenesulfonamide

4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N-prop-2-enylbenzenesulfonamide (PubChem CID 9158819) has the molecular formula C₂₁H₂₅N₃O₄S and a molecular weight of 415.52 g/mol. Its IUPAC name is 4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N-prop-2-enylbenzenesulfonamide.

Molecular Properties

• Compound Name: 4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N-prop-2-enylbenzenesulfonamide
• PubChem CID: 9158819
• Molecular Formula: C₂₁H₂₅N₃O₄S
• Molecular Weight: 415.52 g/mol
• Exact Mass: 415.16
• IUPAC Name: 4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N-prop-2-enylbenzenesulfonamide
• SMILES: C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1
• InChI: InChI=1S/C21H25N3O4S/c1-3-12-22-29(26,27)20-10-4-17(5-11-20)21(25)24-15-13-23(14-16-24)18-6-8-19(28-2)9-7-18/h3-11,22H,1,12-16H2,2H3
• InChIKey: MUJSQQDJCNGOMP-UHFFFAOYSA-N
• XLogP: 2.12
• TPSA: 78.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	415.52
LogP ≤ 5	2.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N-prop-2-enylbenzenesulfonamide?

The IUPAC name of 4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N-prop-2-enylbenzenesulfonamide (CID 9158819) is 4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N-prop-2-enylbenzenesulfonamide.

What is the SMILES notation for 4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N-prop-2-enylbenzenesulfonamide?

The canonical SMILES for 4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N-prop-2-enylbenzenesulfonamide is C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1.

What is the InChIKey of 4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N-prop-2-enylbenzenesulfonamide?

The InChIKey is MUJSQQDJCNGOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4S/c1-3-12-22-29(26,27)20-10-4-17(5-11-20)21(25)24-15-13-23(14-16-24)18-6-8-19(28-2)9-7-18/h3-11,22H,1,12-16H2,2H3.

What are the key properties of 4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N-prop-2-enylbenzenesulfonamide?

4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N-prop-2-enylbenzenesulfonamide has a molecular weight of 415.52 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N-prop-2-enylbenzenesulfonamide is sourced from PubChem (CID 9158819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 9158819 — identifiers, structure, computed properties (public domain)

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