N-[2-(2-imidazol-1-yl-1-phenylethoxy)-5-oxo-7,8-dihydro-6H-naphthalen-1-yl]benzenesulfonamide

C27H25N3O4S — CID 10277924

About N-[2-(2-imidazol-1-yl-1-phenylethoxy)-5-oxo-7,8-dihydro-6H-naphthalen-1-yl]benzenesulfonamide

N-[2-(2-imidazol-1-yl-1-phenylethoxy)-5-oxo-7,8-dihydro-6H-naphthalen-1-yl]benzenesulfonamide (PubChem CID 10277924) has the molecular formula C27H25N3O4S and a molecular weight of 487.58 g/mol. Its IUPAC name is N-[2-(2-imidazol-1-yl-1-phenylethoxy)-5-oxo-7,8-dihydro-6H-naphthalen-1-yl]benzenesulfonamide.

Molecular Properties

• Compound Name: N-[2-(2-imidazol-1-yl-1-phenylethoxy)-5-oxo-7,8-dihydro-6H-naphthalen-1-yl]benzenesulfonamide
• PubChem CID: 10277924
• Molecular Formula: C27H25N3O4S
• Molecular Weight: 487.58 g/mol
• Exact Mass: 487.16
• IUPAC Name: N-[2-(2-imidazol-1-yl-1-phenylethoxy)-5-oxo-7,8-dihydro-6H-naphthalen-1-yl]benzenesulfonamide
• SMILES: O=C1CCCc2c1ccc(OC(Cn1ccnc1)c1ccccc1)c2NS(=O)(=O)c1ccccc1
• InChI: InChI=1S/C27H25N3O4S/c31-24-13-7-12-23-22(24)14-15-25(27(23)29-35(32,33)21-10-5-2-6-11-21)34-26(18-30-17-16-28-19-30)20-8-3-1-4-9-20/h1-6,8-11,14-17,19,26,29H,7,12-13,18H2
• InChIKey: FYOCQTFNKWJENI-UHFFFAOYSA-N
• XLogP: 5.02
• TPSA: 90.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	487.58
LogP ≤ 5	5.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-imidazol-1-yl-1-phenylethoxy)-5-oxo-7,8-dihydro-6H-naphthalen-1-yl]benzenesulfonamide?

The IUPAC name of N-[2-(2-imidazol-1-yl-1-phenylethoxy)-5-oxo-7,8-dihydro-6H-naphthalen-1-yl]benzenesulfonamide (CID 10277924) is N-[2-(2-imidazol-1-yl-1-phenylethoxy)-5-oxo-7,8-dihydro-6H-naphthalen-1-yl]benzenesulfonamide.

What is the SMILES notation for N-[2-(2-imidazol-1-yl-1-phenylethoxy)-5-oxo-7,8-dihydro-6H-naphthalen-1-yl]benzenesulfonamide?

The canonical SMILES for N-[2-(2-imidazol-1-yl-1-phenylethoxy)-5-oxo-7,8-dihydro-6H-naphthalen-1-yl]benzenesulfonamide is O=C1CCCc2c1ccc(OC(Cn1ccnc1)c1ccccc1)c2NS(=O)(=O)c1ccccc1.

What is the InChIKey of N-[2-(2-imidazol-1-yl-1-phenylethoxy)-5-oxo-7,8-dihydro-6H-naphthalen-1-yl]benzenesulfonamide?

The InChIKey is FYOCQTFNKWJENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O4S/c31-24-13-7-12-23-22(24)14-15-25(27(23)29-35(32,33)21-10-5-2-6-11-21)34-26(18-30-17-16-28-19-30)20-8-3-1-4-9-20/h1-6,8-11,14-17,19,26,29H,7,12-13,18H2.

What are the key properties of N-[2-(2-imidazol-1-yl-1-phenylethoxy)-5-oxo-7,8-dihydro-6H-naphthalen-1-yl]benzenesulfonamide?

N-[2-(2-imidazol-1-yl-1-phenylethoxy)-5-oxo-7,8-dihydro-6H-naphthalen-1-yl]benzenesulfonamide has a molecular weight of 487.58 g/mol, XLogP of 5.02, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(2-imidazol-1-yl-1-phenylethoxy)-5-oxo-7,8-dihydro-6H-naphthalen-1-yl]benzenesulfonamide is sourced from PubChem (CID 10277924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).