N-(3,3-diphenylpropyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide

C26H26N2O3S — CID 16823169

About N-(3,3-diphenylpropyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide

N-(3,3-diphenylpropyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide (PubChem CID 16823169) has the molecular formula C26H26N2O3S and a molecular weight of 446.57 g/mol. Its IUPAC name is N-(3,3-diphenylpropyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide.

Molecular Properties

• Compound Name: N-(3,3-diphenylpropyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide
• PubChem CID: 16823169
• Molecular Formula: C26H26N2O3S
• Molecular Weight: 446.57 g/mol
• Exact Mass: 446.17
• IUPAC Name: N-(3,3-diphenylpropyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide
• SMILES: O=C1CCc2cc(S(=O)(=O)NCCC(c3ccccc3)c3ccccc3)cc3c2N1CC3
• InChI: InChI=1S/C26H26N2O3S/c29-25-12-11-21-17-23(18-22-14-16-28(25)26(21)22)32(30,31)27-15-13-24(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-10,17-18,24,27H,11-16H2
• InChIKey: BGLBOXSXSWZPCG-UHFFFAOYSA-N
• XLogP: 4.02
• TPSA: 66.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.57
LogP ≤ 5	4.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(3,3-diphenylpropyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide?

The IUPAC name of N-(3,3-diphenylpropyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide (CID 16823169) is N-(3,3-diphenylpropyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide.

What is the SMILES notation for N-(3,3-diphenylpropyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide?

The canonical SMILES for N-(3,3-diphenylpropyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide is O=C1CCc2cc(S(=O)(=O)NCCC(c3ccccc3)c3ccccc3)cc3c2N1CC3.

What is the InChIKey of N-(3,3-diphenylpropyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide?

The InChIKey is BGLBOXSXSWZPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O3S/c29-25-12-11-21-17-23(18-22-14-16-28(25)26(21)22)32(30,31)27-15-13-24(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-10,17-18,24,27H,11-16H2.

What are the key properties of N-(3,3-diphenylpropyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide?

N-(3,3-diphenylpropyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide has a molecular weight of 446.57 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,3-diphenylpropyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide is sourced from PubChem (CID 16823169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).