4-amino-3-[[4-[4-[(1-amino-4-sulfamoylnaphthalen-2-yl)diazenyl]-3,5-dichlorophenyl]-2,6-dichlorophenyl]diazenyl]naphthalene-1-sulfonamide

C32H22Cl4N8O4S2 — CID 153382297

About 4-amino-3-[[4-[4-[(1-amino-4-sulfamoylnaphthalen-2-yl)diazenyl]-3,5-dichlorophenyl]-2,6-dichlorophenyl]diazenyl]naphthalene-1-sulfonamide

4-amino-3-[[4-[4-[(1-amino-4-sulfamoylnaphthalen-2-yl)diazenyl]-3,5-dichlorophenyl]-2,6-dichlorophenyl]diazenyl]naphthalene-1-sulfonamide (PubChem CID 153382297) has the molecular formula C32H22Cl4N8O4S2 and a molecular weight of 788.53 g/mol. Its IUPAC name is 4-amino-3-[[4-[4-[(1-amino-4-sulfamoylnaphthalen-2-yl)diazenyl]-3,5-dichlorophenyl]-2,6-dichlorophenyl]diazenyl]naphthalene-1-sulfonamide.

Molecular Properties

• Compound Name: 4-amino-3-[[4-[4-[(1-amino-4-sulfamoylnaphthalen-2-yl)diazenyl]-3,5-dichlorophenyl]-2,6-dichlorophenyl]diazenyl]naphthalene-1-sulfonamide
• PubChem CID: 153382297
• Molecular Formula: C32H22Cl4N8O4S2
• Molecular Weight: 788.53 g/mol
• Exact Mass: 786.00
• IUPAC Name: 4-amino-3-[[4-[4-[(1-amino-4-sulfamoylnaphthalen-2-yl)diazenyl]-3,5-dichlorophenyl]-2,6-dichlorophenyl]diazenyl]naphthalene-1-sulfonamide
• SMILES: Nc1c(/N=N/c2c(Cl)cc(-c3cc(Cl)c(/N=N/c4cc(S(N)(=O)=O)c5ccccc5c4N)c(Cl)c3)cc2Cl)cc(S(N)(=O)=O)c2ccccc12
• InChI: InChI=1S/C32H22Cl4N8O4S2/c33-21-9-15(10-22(34)31(21)43-41-25-13-27(49(39,45)46)17-5-1-3-7-19(17)29(25)37)16-11-23(35)32(24(36)12-16)44-42-26-14-28(50(40,47)48)18-6-2-4-8-20(18)30(26)38/h1-14H,37-38H2,(H2,39,45,46)(H2,40,47,48)/b43-41+,44-42+
• InChIKey: VODHSFVCKLXSTK-CHQNLTHESA-N
• XLogP: 9.56
• TPSA: 221.80 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	788.53
LogP ≤ 5	9.56
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[[4-[4-[(1-amino-4-sulfamoylnaphthalen-2-yl)diazenyl]-3,5-dichlorophenyl]-2,6-dichlorophenyl]diazenyl]naphthalene-1-sulfonamide?

The IUPAC name of 4-amino-3-[[4-[4-[(1-amino-4-sulfamoylnaphthalen-2-yl)diazenyl]-3,5-dichlorophenyl]-2,6-dichlorophenyl]diazenyl]naphthalene-1-sulfonamide (CID 153382297) is 4-amino-3-[[4-[4-[(1-amino-4-sulfamoylnaphthalen-2-yl)diazenyl]-3,5-dichlorophenyl]-2,6-dichlorophenyl]diazenyl]naphthalene-1-sulfonamide.

What is the SMILES notation for 4-amino-3-[[4-[4-[(1-amino-4-sulfamoylnaphthalen-2-yl)diazenyl]-3,5-dichlorophenyl]-2,6-dichlorophenyl]diazenyl]naphthalene-1-sulfonamide?

The canonical SMILES for 4-amino-3-[[4-[4-[(1-amino-4-sulfamoylnaphthalen-2-yl)diazenyl]-3,5-dichlorophenyl]-2,6-dichlorophenyl]diazenyl]naphthalene-1-sulfonamide is Nc1c(/N=N/c2c(Cl)cc(-c3cc(Cl)c(/N=N/c4cc(S(N)(=O)=O)c5ccccc5c4N)c(Cl)c3)cc2Cl)cc(S(N)(=O)=O)c2ccccc12.

What is the InChIKey of 4-amino-3-[[4-[4-[(1-amino-4-sulfamoylnaphthalen-2-yl)diazenyl]-3,5-dichlorophenyl]-2,6-dichlorophenyl]diazenyl]naphthalene-1-sulfonamide?

The InChIKey is VODHSFVCKLXSTK-CHQNLTHESA-N. The full InChI is InChI=1S/C32H22Cl4N8O4S2/c33-21-9-15(10-22(34)31(21)43-41-25-13-27(49(39,45)46)17-5-1-3-7-19(17)29(25)37)16-11-23(35)32(24(36)12-16)44-42-26-14-28(50(40,47)48)18-6-2-4-8-20(18)30(26)38/h1-14H,37-38H2,(H2,39,45,46)(H2,40,47,48)/b43-41+,44-42+.

What are the key properties of 4-amino-3-[[4-[4-[(1-amino-4-sulfamoylnaphthalen-2-yl)diazenyl]-3,5-dichlorophenyl]-2,6-dichlorophenyl]diazenyl]naphthalene-1-sulfonamide?

4-amino-3-[[4-[4-[(1-amino-4-sulfamoylnaphthalen-2-yl)diazenyl]-3,5-dichlorophenyl]-2,6-dichlorophenyl]diazenyl]naphthalene-1-sulfonamide has a molecular weight of 788.53 g/mol, XLogP of 9.56, 7 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-3-[[4-[4-[(1-amino-4-sulfamoylnaphthalen-2-yl)diazenyl]-3,5-dichlorophenyl]-2,6-dichlorophenyl]diazenyl]naphthalene-1-sulfonamide is sourced from PubChem (CID 153382297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).