7-[(2,4-dimethylphenyl)diazenyl]-5-methylnaphthalene-1-sulfonic acid

C19H18N2O3S — CID 123706103

IUPAC7-[(2,4-dimethylphenyl)diazenyl]-5-methylnaphthalene-1-sulfonic acid
SMILESCc1ccc(/N=N/c2cc(C)c3cccc(S(=O)(=O)O)c3c2)c(C)c1
InChIInChI=1S/C19H18N2O3S/c1-12-7-8-18(14(3)9-12)21-20-15-10-13(2)16-5-4-6-19(17(16)11-15)25(22,23)24/h4-11H,1-3H3,(H,22,23,24)/b21-20+
InChIKeyCHZOSKXJIFAFFC-QZQOTICOSA-N
MW354.43 g/mol
LogP5.43
Rot. Bonds3

About 7-[(2,4-dimethylphenyl)diazenyl]-5-methylnaphthalene-1-sulfonic acid

7-[(2,4-dimethylphenyl)diazenyl]-5-methylnaphthalene-1-sulfonic acid (PubChem CID 123706103) has the molecular formula C19H18N2O3S and a molecular weight of 354.43 g/mol. Its IUPAC name is 7-[(2,4-dimethylphenyl)diazenyl]-5-methylnaphthalene-1-sulfonic acid.

Molecular Properties

Compound Name7-[(2,4-dimethylphenyl)diazenyl]-5-methylnaphthalene-1-sulfonic acid
PubChem CID123706103
Molecular FormulaC19H18N2O3S
Molecular Weight354.43 g/mol
Exact Mass354.10
IUPAC Name7-[(2,4-dimethylphenyl)diazenyl]-5-methylnaphthalene-1-sulfonic acid
SMILESCc1ccc(/N=N/c2cc(C)c3cccc(S(=O)(=O)O)c3c2)c(C)c1
InChIInChI=1S/C19H18N2O3S/c1-12-7-8-18(14(3)9-12)21-20-15-10-13(2)16-5-4-6-19(17(16)11-15)25(22,23)24/h4-11H,1-3H3,(H,22,23,24)/b21-20+
InChIKeyCHZOSKXJIFAFFC-QZQOTICOSA-N
XLogP5.43
TPSA79.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.43
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

3-[[4-[(2,4-dimethylphenyl)diazenyl]-7-methylnaphthalen-1-yl]diazenyl]-7-methylnaphthalene-1,5-disulfonic acid
CID 18343815
3-[[2-methyl-4-(methylamino)phenyl]diazenyl]naphthalene-1,5-disulfonic acid
CID 21351279
7-[[4-[(2,4-dimethylphenyl)diazenyl]-2-methylphenyl]diazenyl]naphthalene-1,3-disulfonic acid
CID 89047064
3-[[4-[(4,6-dimethyl-1,3,5-triazin-2-yl)amino]-2-methylphenyl]diazenyl]naphthalene-1,5-disulfonic acid
CID 20677980
3-[[4-[(4-amino-2-methylphenyl)diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]naphthalene-1,5-disulfonic acid;sulfur trioxide
CID 158495842
3-[[4-[[4-[4-[(4,8-disulfonaphthalen-2-yl)diazenyl]-3-methylanilino]-6-oxo-1H-1,3,5-triazin-2-yl]amino]-2-methylphenyl]diazenyl]naphthalene-1,5-disulfonic acid
CID 136647650
8-amino-5-[(3-methyl-4-phenyldiazenylphenyl)diazenyl]naphthalene-1-sulfonic acid;sulfur trioxide
CID 158523650
CID 170841045
CID 170841045
3-[[4-[chloro-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-methylphenyl]diazenyl]naphthalene-1,5-disulfonic acid
CID 89402252
7-[[2-methyl-4-(methyldiazenyl)phenyl]diazenyl]naphthalene-1,3-disulfonic acid
CID 89321172
CID 170840867
CID 170840867
3-[[4-[[N-carbamoyl-N'-[1-[3-(carbamoylamino)-4-[(4,8-disulfonaphthalen-2-yl)diazenyl]anilino]ethenyl]carbamimidoyl]amino]-2-methylphenyl]diazenyl]naphthalene-1,5-disulfonic acid
CID 173470870

Frequently Asked Questions

What is the IUPAC name of 7-[(2,4-dimethylphenyl)diazenyl]-5-methylnaphthalene-1-sulfonic acid?
The IUPAC name of 7-[(2,4-dimethylphenyl)diazenyl]-5-methylnaphthalene-1-sulfonic acid (CID 123706103) is 7-[(2,4-dimethylphenyl)diazenyl]-5-methylnaphthalene-1-sulfonic acid.
What is the SMILES notation for 7-[(2,4-dimethylphenyl)diazenyl]-5-methylnaphthalene-1-sulfonic acid?
The canonical SMILES for 7-[(2,4-dimethylphenyl)diazenyl]-5-methylnaphthalene-1-sulfonic acid is Cc1ccc(/N=N/c2cc(C)c3cccc(S(=O)(=O)O)c3c2)c(C)c1.
What is the InChIKey of 7-[(2,4-dimethylphenyl)diazenyl]-5-methylnaphthalene-1-sulfonic acid?
The InChIKey is CHZOSKXJIFAFFC-QZQOTICOSA-N. The full InChI is InChI=1S/C19H18N2O3S/c1-12-7-8-18(14(3)9-12)21-20-15-10-13(2)16-5-4-6-19(17(16)11-15)25(22,23)24/h4-11H,1-3H3,(H,22,23,24)/b21-20+.
What are the key properties of 7-[(2,4-dimethylphenyl)diazenyl]-5-methylnaphthalene-1-sulfonic acid?
7-[(2,4-dimethylphenyl)diazenyl]-5-methylnaphthalene-1-sulfonic acid has a molecular weight of 354.43 g/mol, XLogP of 5.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2,4-dimethylphenyl)diazenyl]-5-methylnaphthalene-1-sulfonic acid is sourced from PubChem (CID 123706103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).