8-amino-5-[(4-aminonaphthalen-1-yl)diazenyl]naphthalene-1-sulfonic acid

C20H16N4O3S — CID 148653145

IUPAC8-amino-5-[(4-aminonaphthalen-1-yl)diazenyl]naphthalene-1-sulfonic acid
SMILESNc1ccc(/N=N/c2ccc(N)c3c(S(=O)(=O)O)cccc23)c2ccccc12
InChIInChI=1S/C20H16N4O3S/c21-15-8-10-17(13-5-2-1-4-12(13)15)23-24-18-11-9-16(22)20-14(18)6-3-7-19(20)28(25,26)27/h1-11H,21-22H2,(H,25,26,27)/b24-23+
InChIKeyNMHNFTJWRRKRFM-WCWDXBQESA-N
MW392.44 g/mol
LogP4.82
Rot. Bonds3

About 8-amino-5-[(4-aminonaphthalen-1-yl)diazenyl]naphthalene-1-sulfonic acid

8-amino-5-[(4-aminonaphthalen-1-yl)diazenyl]naphthalene-1-sulfonic acid (PubChem CID 148653145) has the molecular formula C20H16N4O3S and a molecular weight of 392.44 g/mol. Its IUPAC name is 8-amino-5-[(4-aminonaphthalen-1-yl)diazenyl]naphthalene-1-sulfonic acid.

Molecular Properties

Compound Name8-amino-5-[(4-aminonaphthalen-1-yl)diazenyl]naphthalene-1-sulfonic acid
PubChem CID148653145
Molecular FormulaC20H16N4O3S
Molecular Weight392.44 g/mol
Exact Mass392.09
IUPAC Name8-amino-5-[(4-aminonaphthalen-1-yl)diazenyl]naphthalene-1-sulfonic acid
SMILESNc1ccc(/N=N/c2ccc(N)c3c(S(=O)(=O)O)cccc23)c2ccccc12
InChIInChI=1S/C20H16N4O3S/c21-15-8-10-17(13-5-2-1-4-12(13)15)23-24-18-11-9-16(22)20-14(18)6-3-7-19(20)28(25,26)27/h1-11H,21-22H2,(H,25,26,27)/b24-23+
InChIKeyNMHNFTJWRRKRFM-WCWDXBQESA-N
XLogP4.82
TPSA131.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 54.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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'}

Analyze 8-amino-5-[(4-aminonaphthalen-1-yl)diazenyl]naphthalene-1-sulfonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-amino-5-[(3-methyl-4-phenyldiazenylphenyl)diazenyl]naphthalene-1-sulfonic acid;sulfur trioxide
CID 158523650
2-[(4-aminonaphthalen-1-yl)diazenyl]-6-[2-(2-sulfophenyl)ethenyl]benzenesulfonic acid
CID 172835508
sodium 4-aminonaphthalene-1,5-disulfonic acid
CID 126465863
8-methyl-5-[[4-[(2-sulfophenyl)diazenyl]naphthalen-1-yl]diazenyl]naphthalene-1-sulfonic acid
CID 122680887
3-[[4-[(4-aminonaphthalen-1-yl)diazenyl]phenyl]diazenyl]-4-hydroxynaphthalene-1-sulfonic acid
CID 136714819
5-amino-8-[[7-sulfo-4-[(3-sulfophenyl)diazenyl]naphthalen-1-yl]diazenyl]naphthalene-1-sulfonic acid
CID 88888450
5-[(2,4-diaminophenyl)diazenyl]naphthalene-1-sulfonic acid
CID 165363379
4-aminonaphthalene-1-sulfonic acid
CID 6790
CID 170845569
CID 170845569
5-[(4-aminonaphthalen-1-yl)diazenyl]-2-[2-[4-[(4-aminonaphthalen-1-yl)diazenyl]phenyl]ethenyl]benzenesulfonic acid
CID 123942651
8-[(4-aminonaphthalen-1-yl)diazenyl]-5-phenyldiazenylnaphthalene-2-sulfonic acid;8-amino-5-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]naphthalene-1-sulfonic acid;8-amino-5-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]naphthalene-2-sulfonic acid;8-anilino-5-[[4-(naphthalen-1-yldiazenyl)-7-sulfonaphthalen-1-yl]diazenyl]naphthalene-1-sulfonic acid;8-benzyl-5-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]naphthalene-1-sulfonic acid;4-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]naphthalen-1-amine;decakis(sulfur trioxide)
CID 161262136
4-amino-5-chloronaphthalene-1-sulfonic acid
CID 130155184

Frequently Asked Questions

What is the IUPAC name of 8-amino-5-[(4-aminonaphthalen-1-yl)diazenyl]naphthalene-1-sulfonic acid?
The IUPAC name of 8-amino-5-[(4-aminonaphthalen-1-yl)diazenyl]naphthalene-1-sulfonic acid (CID 148653145) is 8-amino-5-[(4-aminonaphthalen-1-yl)diazenyl]naphthalene-1-sulfonic acid.
What is the SMILES notation for 8-amino-5-[(4-aminonaphthalen-1-yl)diazenyl]naphthalene-1-sulfonic acid?
The canonical SMILES for 8-amino-5-[(4-aminonaphthalen-1-yl)diazenyl]naphthalene-1-sulfonic acid is Nc1ccc(/N=N/c2ccc(N)c3c(S(=O)(=O)O)cccc23)c2ccccc12.
What is the InChIKey of 8-amino-5-[(4-aminonaphthalen-1-yl)diazenyl]naphthalene-1-sulfonic acid?
The InChIKey is NMHNFTJWRRKRFM-WCWDXBQESA-N. The full InChI is InChI=1S/C20H16N4O3S/c21-15-8-10-17(13-5-2-1-4-12(13)15)23-24-18-11-9-16(22)20-14(18)6-3-7-19(20)28(25,26)27/h1-11H,21-22H2,(H,25,26,27)/b24-23+.
What are the key properties of 8-amino-5-[(4-aminonaphthalen-1-yl)diazenyl]naphthalene-1-sulfonic acid?
8-amino-5-[(4-aminonaphthalen-1-yl)diazenyl]naphthalene-1-sulfonic acid has a molecular weight of 392.44 g/mol, XLogP of 4.82, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-5-[(4-aminonaphthalen-1-yl)diazenyl]naphthalene-1-sulfonic acid is sourced from PubChem (CID 148653145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).