5-[2-[2-(6-diazonio-5-hydroxynaphthalen-1-yl)sulfonyloxypropoxy]propoxysulfonyl]-1-hydroxynaphthalene-2-diazonium

C26H24N4O9S2+2 — CID 59288687

About 5-[2-[2-(6-diazonio-5-hydroxynaphthalen-1-yl)sulfonyloxypropoxy]propoxysulfonyl]-1-hydroxynaphthalene-2-diazonium

5-[2-[2-(6-diazonio-5-hydroxynaphthalen-1-yl)sulfonyloxypropoxy]propoxysulfonyl]-1-hydroxynaphthalene-2-diazonium (PubChem CID 59288687) has the molecular formula C26H24N4O9S2+2 and a molecular weight of 600.63 g/mol. Its IUPAC name is 5-[2-[2-(6-diazonio-5-hydroxynaphthalen-1-yl)sulfonyloxypropoxy]propoxysulfonyl]-1-hydroxynaphthalene-2-diazonium.

Molecular Properties

• Compound Name: 5-[2-[2-(6-diazonio-5-hydroxynaphthalen-1-yl)sulfonyloxypropoxy]propoxysulfonyl]-1-hydroxynaphthalene-2-diazonium
• PubChem CID: 59288687
• Molecular Formula: C26H24N4O9S2+2
• Molecular Weight: 600.63 g/mol
• Exact Mass: 600.10
• IUPAC Name: 5-[2-[2-(6-diazonio-5-hydroxynaphthalen-1-yl)sulfonyloxypropoxy]propoxysulfonyl]-1-hydroxynaphthalene-2-diazonium
• SMILES: CC(COS(=O)(=O)c1cccc2c(O)c([N+]#N)ccc12)OCC(C)OS(=O)(=O)c1cccc2c(O)c([N+]#N)ccc12
• InChI: InChI=1S/C26H22N4O9S2/c1-15(14-38-40(33,34)23-7-3-5-19-17(23)9-11-21(29-27)25(19)31)37-13-16(2)39-41(35,36)24-8-4-6-20-18(24)10-12-22(30-28)26(20)32/h3-12,15-16H,13-14H2,1-2H3/p+2
• InChIKey: WQGZJAVCMJFQEW-UHFFFAOYSA-P
• XLogP: 5.28
• TPSA: 192.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	600.63
LogP ≤ 5	5.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Azo_group', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-(6-diazonio-5-hydroxynaphthalen-1-yl)sulfonyloxypropoxy]propoxysulfonyl]-1-hydroxynaphthalene-2-diazonium?

The IUPAC name of 5-[2-[2-(6-diazonio-5-hydroxynaphthalen-1-yl)sulfonyloxypropoxy]propoxysulfonyl]-1-hydroxynaphthalene-2-diazonium (CID 59288687) is 5-[2-[2-(6-diazonio-5-hydroxynaphthalen-1-yl)sulfonyloxypropoxy]propoxysulfonyl]-1-hydroxynaphthalene-2-diazonium.

What is the SMILES notation for 5-[2-[2-(6-diazonio-5-hydroxynaphthalen-1-yl)sulfonyloxypropoxy]propoxysulfonyl]-1-hydroxynaphthalene-2-diazonium?

The canonical SMILES for 5-[2-[2-(6-diazonio-5-hydroxynaphthalen-1-yl)sulfonyloxypropoxy]propoxysulfonyl]-1-hydroxynaphthalene-2-diazonium is CC(COS(=O)(=O)c1cccc2c(O)c([N+]#N)ccc12)OCC(C)OS(=O)(=O)c1cccc2c(O)c([N+]#N)ccc12.

What is the InChIKey of 5-[2-[2-(6-diazonio-5-hydroxynaphthalen-1-yl)sulfonyloxypropoxy]propoxysulfonyl]-1-hydroxynaphthalene-2-diazonium?

The InChIKey is WQGZJAVCMJFQEW-UHFFFAOYSA-P. The full InChI is InChI=1S/C26H22N4O9S2/c1-15(14-38-40(33,34)23-7-3-5-19-17(23)9-11-21(29-27)25(19)31)37-13-16(2)39-41(35,36)24-8-4-6-20-18(24)10-12-22(30-28)26(20)32/h3-12,15-16H,13-14H2,1-2H3/p+2.

What are the key properties of 5-[2-[2-(6-diazonio-5-hydroxynaphthalen-1-yl)sulfonyloxypropoxy]propoxysulfonyl]-1-hydroxynaphthalene-2-diazonium?

5-[2-[2-(6-diazonio-5-hydroxynaphthalen-1-yl)sulfonyloxypropoxy]propoxysulfonyl]-1-hydroxynaphthalene-2-diazonium has a molecular weight of 600.63 g/mol, XLogP of 5.28, 10 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[2-(6-diazonio-5-hydroxynaphthalen-1-yl)sulfonyloxypropoxy]propoxysulfonyl]-1-hydroxynaphthalene-2-diazonium is sourced from PubChem (CID 59288687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).