8-amino-5-[(3-methyl-4-phenyldiazenylphenyl)diazenyl]naphthalene-1-sulfonic acid;sulfur trioxide

C23H19N5O6S2 — CID 158523650

IUPAC8-amino-5-[(3-methyl-4-phenyldiazenylphenyl)diazenyl]naphthalene-1-sulfonic acid;sulfur trioxide
SMILESCc1cc(/N=N/c2ccc(N)c3c(S(=O)(=O)O)cccc23)ccc1/N=N/c1ccccc1.O=S(=O)=O
InChIInChI=1S/C23H19N5O3S.O3S/c1-15-14-17(10-12-20(15)27-25-16-6-3-2-4-7-16)26-28-21-13-11-19(24)23-18(21)8-5-9-22(23)32(29,30)31;1-4(2)3/h2-14H,24H2,1H3,(H,29,30,31);/b27-25+,28-26+;
InChIKeyHMNGVLRNHZNIMZ-GKSBCSGRSA-N
MW525.57 g/mol
LogP5.80
Rot. Bonds5

About 8-amino-5-[(3-methyl-4-phenyldiazenylphenyl)diazenyl]naphthalene-1-sulfonic acid;sulfur trioxide

8-amino-5-[(3-methyl-4-phenyldiazenylphenyl)diazenyl]naphthalene-1-sulfonic acid;sulfur trioxide (PubChem CID 158523650) has the molecular formula C23H19N5O6S2 and a molecular weight of 525.57 g/mol. Its IUPAC name is 8-amino-5-[(3-methyl-4-phenyldiazenylphenyl)diazenyl]naphthalene-1-sulfonic acid;sulfur trioxide.

Molecular Properties

Compound Name8-amino-5-[(3-methyl-4-phenyldiazenylphenyl)diazenyl]naphthalene-1-sulfonic acid;sulfur trioxide
PubChem CID158523650
Molecular FormulaC23H19N5O6S2
Molecular Weight525.57 g/mol
Exact Mass525.08
IUPAC Name8-amino-5-[(3-methyl-4-phenyldiazenylphenyl)diazenyl]naphthalene-1-sulfonic acid;sulfur trioxide
SMILESCc1cc(/N=N/c2ccc(N)c3c(S(=O)(=O)O)cccc23)ccc1/N=N/c1ccccc1.O=S(=O)=O
InChIInChI=1S/C23H19N5O3S.O3S/c1-15-14-17(10-12-20(15)27-25-16-6-3-2-4-7-16)26-28-21-13-11-19(24)23-18(21)8-5-9-22(23)32(29,30)31;1-4(2)3/h2-14H,24H2,1H3,(H,29,30,31);/b27-25+,28-26+;
InChIKeyHMNGVLRNHZNIMZ-GKSBCSGRSA-N
XLogP5.80
TPSA181.04 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.57
LogP ≤ 55.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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'}

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Related Compounds

8-amino-5-[[2-sulfo-4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]naphthalene-1-sulfonic acid;8-benzyl-5-[(4-phenyldiazenyl-2-sulfophenyl)diazenyl]naphthalene-1-sulfonic acid;(4-methylnaphthalen-1-yl)-(4-phenyldiazenylnaphthalen-1-yl)diazene;8-methyl-4-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]naphthalen-1-amine;bis(8-methyl-5-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]naphthalene-2-sulfonic acid);decakis(sulfur trioxide)
CID 161242841
8-amino-5-[(4-aminonaphthalen-1-yl)diazenyl]naphthalene-1-sulfonic acid
CID 148653145
3-amino-5-hydroxy-6-[[4-[[4-[(2-methoxy-4-phenyldiazenylphenyl)diazenyl]-3-methylphenyl]diazenyl]-3-methylphenyl]diazenyl]naphthalene-2-sulfonic acid
CID 136606721
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
5-amino-8-[[7-sulfo-4-[(3-sulfophenyl)diazenyl]naphthalen-1-yl]diazenyl]naphthalene-1-sulfonic acid
CID 88888450
8-methyl-5-[[4-[(2-sulfophenyl)diazenyl]naphthalen-1-yl]diazenyl]naphthalene-1-sulfonic acid
CID 122680887
8-amino-4-hydroxy-5-[(8-sulfonaphthalen-2-yl)diazenyl]naphthalene-2-sulfonic acid;sulfur trioxide
CID 163748081
3-[[4-[(4-aminonaphthalen-1-yl)diazenyl]phenyl]diazenyl]-4-hydroxynaphthalene-1-sulfonic acid
CID 136714819
7-[(2,4-dimethylphenyl)diazenyl]-5-methylnaphthalene-1-sulfonic acid
CID 123706103
5-[(4-amino-3-methoxyphenyl)diazenyl]naphthalene-1-sulfonic acid
CID 148930754
3-[[4-[(4-amino-2-methylphenyl)diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]naphthalene-1,5-disulfonic acid;sulfur trioxide
CID 158495842
2-[[2,5-dimethyl-4-[(4-methyl-5-sulfonaphthalen-1-yl)diazenyl]phenyl]diazenyl]benzene-1,4-disulfonic acid
CID 89165069

Frequently Asked Questions

What is the IUPAC name of 8-amino-5-[(3-methyl-4-phenyldiazenylphenyl)diazenyl]naphthalene-1-sulfonic acid;sulfur trioxide?
The IUPAC name of 8-amino-5-[(3-methyl-4-phenyldiazenylphenyl)diazenyl]naphthalene-1-sulfonic acid;sulfur trioxide (CID 158523650) is 8-amino-5-[(3-methyl-4-phenyldiazenylphenyl)diazenyl]naphthalene-1-sulfonic acid;sulfur trioxide.
What is the SMILES notation for 8-amino-5-[(3-methyl-4-phenyldiazenylphenyl)diazenyl]naphthalene-1-sulfonic acid;sulfur trioxide?
The canonical SMILES for 8-amino-5-[(3-methyl-4-phenyldiazenylphenyl)diazenyl]naphthalene-1-sulfonic acid;sulfur trioxide is Cc1cc(/N=N/c2ccc(N)c3c(S(=O)(=O)O)cccc23)ccc1/N=N/c1ccccc1.O=S(=O)=O.
What is the InChIKey of 8-amino-5-[(3-methyl-4-phenyldiazenylphenyl)diazenyl]naphthalene-1-sulfonic acid;sulfur trioxide?
The InChIKey is HMNGVLRNHZNIMZ-GKSBCSGRSA-N. The full InChI is InChI=1S/C23H19N5O3S.O3S/c1-15-14-17(10-12-20(15)27-25-16-6-3-2-4-7-16)26-28-21-13-11-19(24)23-18(21)8-5-9-22(23)32(29,30)31;1-4(2)3/h2-14H,24H2,1H3,(H,29,30,31);/b27-25+,28-26+;.
What are the key properties of 8-amino-5-[(3-methyl-4-phenyldiazenylphenyl)diazenyl]naphthalene-1-sulfonic acid;sulfur trioxide?
8-amino-5-[(3-methyl-4-phenyldiazenylphenyl)diazenyl]naphthalene-1-sulfonic acid;sulfur trioxide has a molecular weight of 525.57 g/mol, XLogP of 5.80, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-5-[(3-methyl-4-phenyldiazenylphenyl)diazenyl]naphthalene-1-sulfonic acid;sulfur trioxide is sourced from PubChem (CID 158523650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).