N-[6-oxo-11-(2-phenoxyacetyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-3-yl]benzenesulfonamide

C25H25N3O5S — CID 84999289

About N-[6-oxo-11-(2-phenoxyacetyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-3-yl]benzenesulfonamide

N-[6-oxo-11-(2-phenoxyacetyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-3-yl]benzenesulfonamide (PubChem CID 84999289) has the molecular formula C25H25N3O5S and a molecular weight of 479.56 g/mol. Its IUPAC name is N-[6-oxo-11-(2-phenoxyacetyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-3-yl]benzenesulfonamide.

Molecular Properties

• Compound Name: N-[6-oxo-11-(2-phenoxyacetyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-3-yl]benzenesulfonamide
• PubChem CID: 84999289
• Molecular Formula: C25H25N3O5S
• Molecular Weight: 479.56 g/mol
• Exact Mass: 479.15
• IUPAC Name: N-[6-oxo-11-(2-phenoxyacetyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-3-yl]benzenesulfonamide
• SMILES: O=C(COc1ccccc1)N1CC2CC(C1)c1c(NS(=O)(=O)c3ccccc3)ccc(=O)n1C2
• InChI: InChI=1S/C25H25N3O5S/c29-23-12-11-22(26-34(31,32)21-9-5-2-6-10-21)25-19-13-18(15-28(23)25)14-27(16-19)24(30)17-33-20-7-3-1-4-8-20/h1-12,18-19,26H,13-17H2
• InChIKey: WICKDZKETVILIK-UHFFFAOYSA-N
• XLogP: 2.67
• TPSA: 97.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	479.56
LogP ≤ 5	2.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[6-oxo-11-(2-phenoxyacetyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-3-yl]benzenesulfonamide?

The IUPAC name of N-[6-oxo-11-(2-phenoxyacetyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-3-yl]benzenesulfonamide (CID 84999289) is N-[6-oxo-11-(2-phenoxyacetyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-3-yl]benzenesulfonamide.

What is the SMILES notation for N-[6-oxo-11-(2-phenoxyacetyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-3-yl]benzenesulfonamide?

The canonical SMILES for N-[6-oxo-11-(2-phenoxyacetyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-3-yl]benzenesulfonamide is O=C(COc1ccccc1)N1CC2CC(C1)c1c(NS(=O)(=O)c3ccccc3)ccc(=O)n1C2.

What is the InChIKey of N-[6-oxo-11-(2-phenoxyacetyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-3-yl]benzenesulfonamide?

The InChIKey is WICKDZKETVILIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O5S/c29-23-12-11-22(26-34(31,32)21-9-5-2-6-10-21)25-19-13-18(15-28(23)25)14-27(16-19)24(30)17-33-20-7-3-1-4-8-20/h1-12,18-19,26H,13-17H2.

What are the key properties of N-[6-oxo-11-(2-phenoxyacetyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-3-yl]benzenesulfonamide?

N-[6-oxo-11-(2-phenoxyacetyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-3-yl]benzenesulfonamide has a molecular weight of 479.56 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-oxo-11-(2-phenoxyacetyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-3-yl]benzenesulfonamide is sourced from PubChem (CID 84999289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).