4-[[2,4-diamino-5-[[3-[(2,4-diaminophenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]benzenesulfonic acid

C24H22N10O3S — CID 165363256

About 4-[[2,4-diamino-5-[[3-[(2,4-diaminophenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]benzenesulfonic acid

4-[[2,4-diamino-5-[[3-[(2,4-diaminophenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]benzenesulfonic acid (PubChem CID 165363256) has the molecular formula C24H22N10O3S and a molecular weight of 530.57 g/mol. Its IUPAC name is 4-[[2,4-diamino-5-[[3-[(2,4-diaminophenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]benzenesulfonic acid.

Molecular Properties

• Compound Name: 4-[[2,4-diamino-5-[[3-[(2,4-diaminophenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]benzenesulfonic acid
• PubChem CID: 165363256
• Molecular Formula: C24H22N10O3S
• Molecular Weight: 530.57 g/mol
• Exact Mass: 530.16
• IUPAC Name: 4-[[2,4-diamino-5-[[3-[(2,4-diaminophenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]benzenesulfonic acid
• SMILES: Nc1ccc(/N=N/c2cccc(/N=N/c3cc(/N=N/c4ccc(S(=O)(=O)O)cc4)c(N)cc3N)c2)c(N)c1
• InChI: InChI=1S/C24H22N10O3S/c25-14-4-9-22(19(26)10-14)32-30-16-2-1-3-17(11-16)31-34-24-13-23(20(27)12-21(24)28)33-29-15-5-7-18(8-6-15)38(35,36)37/h1-13H,25-28H2,(H,35,36,37)/b32-30+,33-29+,34-31+
• InChIKey: SDSNMMFEJMABGH-SOGQZCQWSA-N
• XLogP: 6.51
• TPSA: 232.61 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 12
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	530.57
LogP ≤ 5	6.51
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	12

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'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[[2,4-diamino-5-[[3-[(2,4-diaminophenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]benzenesulfonic acid?

The IUPAC name of 4-[[2,4-diamino-5-[[3-[(2,4-diaminophenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]benzenesulfonic acid (CID 165363256) is 4-[[2,4-diamino-5-[[3-[(2,4-diaminophenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]benzenesulfonic acid.

What is the SMILES notation for 4-[[2,4-diamino-5-[[3-[(2,4-diaminophenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]benzenesulfonic acid?

The canonical SMILES for 4-[[2,4-diamino-5-[[3-[(2,4-diaminophenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]benzenesulfonic acid is Nc1ccc(/N=N/c2cccc(/N=N/c3cc(/N=N/c4ccc(S(=O)(=O)O)cc4)c(N)cc3N)c2)c(N)c1.

What is the InChIKey of 4-[[2,4-diamino-5-[[3-[(2,4-diaminophenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]benzenesulfonic acid?

The InChIKey is SDSNMMFEJMABGH-SOGQZCQWSA-N. The full InChI is InChI=1S/C24H22N10O3S/c25-14-4-9-22(19(26)10-14)32-30-16-2-1-3-17(11-16)31-34-24-13-23(20(27)12-21(24)28)33-29-15-5-7-18(8-6-15)38(35,36)37/h1-13H,25-28H2,(H,35,36,37)/b32-30+,33-29+,34-31+.

What are the key properties of 4-[[2,4-diamino-5-[[3-[(2,4-diaminophenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]benzenesulfonic acid?

4-[[2,4-diamino-5-[[3-[(2,4-diaminophenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]benzenesulfonic acid has a molecular weight of 530.57 g/mol, XLogP of 6.51, 7 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[2,4-diamino-5-[[3-[(2,4-diaminophenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]benzenesulfonic acid is sourced from PubChem (CID 165363256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).