4-amino-3-[[4-[(E)-2-phenylethenyl]phenyl]diazenyl]naphthalene-1-sulfonic acid

C24H19N3O3S — CID 102244456

IUPAC4-amino-3-[[4-[(E)-2-phenylethenyl]phenyl]diazenyl]naphthalene-1-sulfonic acid
SMILESNc1c(/N=N/c2ccc(/C=C/c3ccccc3)cc2)cc(S(=O)(=O)O)c2ccccc12
InChIInChI=1S/C24H19N3O3S/c25-24-21-9-5-4-8-20(21)23(31(28,29)30)16-22(24)27-26-19-14-12-18(13-15-19)11-10-17-6-2-1-3-7-17/h1-16H,25H2,(H,28,29,30)/b11-10+,27-26+
InChIKeyFYRZDKCJPKQYKF-TUCLXVEESA-N
MW429.50 g/mol
LogP6.25
Rot. Bonds5

About 4-amino-3-[[4-[(E)-2-phenylethenyl]phenyl]diazenyl]naphthalene-1-sulfonic acid

4-amino-3-[[4-[(E)-2-phenylethenyl]phenyl]diazenyl]naphthalene-1-sulfonic acid (PubChem CID 102244456) has the molecular formula C24H19N3O3S and a molecular weight of 429.50 g/mol. Its IUPAC name is 4-amino-3-[[4-[(E)-2-phenylethenyl]phenyl]diazenyl]naphthalene-1-sulfonic acid.

Molecular Properties

Compound Name4-amino-3-[[4-[(E)-2-phenylethenyl]phenyl]diazenyl]naphthalene-1-sulfonic acid
PubChem CID102244456
Molecular FormulaC24H19N3O3S
Molecular Weight429.50 g/mol
Exact Mass429.11
IUPAC Name4-amino-3-[[4-[(E)-2-phenylethenyl]phenyl]diazenyl]naphthalene-1-sulfonic acid
SMILESNc1c(/N=N/c2ccc(/C=C/c3ccccc3)cc2)cc(S(=O)(=O)O)c2ccccc12
InChIInChI=1S/C24H19N3O3S/c25-24-21-9-5-4-8-20(21)23(31(28,29)30)16-22(24)27-26-19-14-12-18(13-15-19)11-10-17-6-2-1-3-7-17/h1-16H,25H2,(H,28,29,30)/b11-10+,27-26+
InChIKeyFYRZDKCJPKQYKF-TUCLXVEESA-N
XLogP6.25
TPSA105.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.50
LogP ≤ 56.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

4-amino-3-[[4-[2-[4-[(1-amino-4-sulfonaphthalen-2-yl)diazenyl]phenyl]ethynyl]phenyl]diazenyl]naphthalene-1-sulfonic acid
CID 2750502
5-[[4-[4-[(1-amino-4-sulfonaphthalen-2-yl)diazenyl]phenyl]phenyl]diazenyl]-2-hydroxy-3-methylbenzoic acid
CID 136714793
5-[(4-aminonaphthalen-1-yl)diazenyl]-2-[2-[4-[(4-aminonaphthalen-1-yl)diazenyl]phenyl]ethenyl]benzenesulfonic acid
CID 123942651
4-amino-3-[[4-[4-[(1-amino-4-sulfonaphthalen-2-yl)diazenyl]-2-methylphenyl]-3-methylphenyl]diazenyl]naphthalene-1-sulfonate
CID 139208471
3-[[4-[(4-aminonaphthalen-1-yl)diazenyl]phenyl]diazenyl]-4-hydroxynaphthalene-1-sulfonic acid
CID 136714819
disodium;4-amino-3-[[4-[4-[(2-hydroxy-8-sulfonaphthalen-1-yl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-1-sulfonic acid
CID 139595340
4-amino-3-[[6-(3-methylphenyl)-3-pyridinyl]diazenyl]naphthalene-1-sulfonic acid
CID 56639940
4-amino-5-hydroxy-6-(naphthalen-1-yldiazenyl)-3-phenyldiazenylnaphthalene-1,7-disulfonic acid
CID 136688709
4-amino-5-hydroxy-6-(methyldiazenyl)-3-phenyldiazenylnaphthalene-1,7-disulfonic acid
CID 135854946
4-amino-3-[[4-[4-[2-(2-oxo-8-sulfonaphthalen-1-ylidene)hydrazinyl]phenyl]phenyl]diazenyl]naphthalene-1-sulfonic acid
CID 74089549
4-amino-3-[[4-[4-[[(E)-1-[2-(aminomethyl)phenyl]-1-sulfopent-1-en-3-yl]diazenyl]phenyl]phenyl]diazenyl]naphthalene-1-sulfonic acid
CID 142925572
2-[(1-hydroxy-4-sulfonaphthalen-2-yl)diazenyl]-5-[(4-sulfophenyl)diazenyl]benzoic acid
CID 136640607

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[[4-[(E)-2-phenylethenyl]phenyl]diazenyl]naphthalene-1-sulfonic acid?
The IUPAC name of 4-amino-3-[[4-[(E)-2-phenylethenyl]phenyl]diazenyl]naphthalene-1-sulfonic acid (CID 102244456) is 4-amino-3-[[4-[(E)-2-phenylethenyl]phenyl]diazenyl]naphthalene-1-sulfonic acid.
What is the SMILES notation for 4-amino-3-[[4-[(E)-2-phenylethenyl]phenyl]diazenyl]naphthalene-1-sulfonic acid?
The canonical SMILES for 4-amino-3-[[4-[(E)-2-phenylethenyl]phenyl]diazenyl]naphthalene-1-sulfonic acid is Nc1c(/N=N/c2ccc(/C=C/c3ccccc3)cc2)cc(S(=O)(=O)O)c2ccccc12.
What is the InChIKey of 4-amino-3-[[4-[(E)-2-phenylethenyl]phenyl]diazenyl]naphthalene-1-sulfonic acid?
The InChIKey is FYRZDKCJPKQYKF-TUCLXVEESA-N. The full InChI is InChI=1S/C24H19N3O3S/c25-24-21-9-5-4-8-20(21)23(31(28,29)30)16-22(24)27-26-19-14-12-18(13-15-19)11-10-17-6-2-1-3-7-17/h1-16H,25H2,(H,28,29,30)/b11-10+,27-26+.
What are the key properties of 4-amino-3-[[4-[(E)-2-phenylethenyl]phenyl]diazenyl]naphthalene-1-sulfonic acid?
4-amino-3-[[4-[(E)-2-phenylethenyl]phenyl]diazenyl]naphthalene-1-sulfonic acid has a molecular weight of 429.50 g/mol, XLogP of 6.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[[4-[(E)-2-phenylethenyl]phenyl]diazenyl]naphthalene-1-sulfonic acid is sourced from PubChem (CID 102244456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).