5-ethoxy-2-[(4-phenyldiazenylphenyl)diazenyl]benzenesulfonic acid

C20H18N4O4S — CID 3019151

IUPAC5-ethoxy-2-[(4-phenyldiazenylphenyl)diazenyl]benzenesulfonic acid
SMILESCCOc1ccc(/N=N/c2ccc(/N=N/c3ccccc3)cc2)c(S(=O)(=O)O)c1
InChIInChI=1S/C20H18N4O4S/c1-2-28-18-12-13-19(20(14-18)29(25,26)27)24-23-17-10-8-16(9-11-17)22-21-15-6-4-3-5-7-15/h3-14H,2H2,1H3,(H,25,26,27)/b22-21+,24-23+
InChIKeyWABCRLDBWCNFFW-RLPYSRNMSA-N
MW410.46 g/mol
LogP6.16
Rot. Bonds7

About 5-ethoxy-2-[(4-phenyldiazenylphenyl)diazenyl]benzenesulfonic acid

5-ethoxy-2-[(4-phenyldiazenylphenyl)diazenyl]benzenesulfonic acid (PubChem CID 3019151) has the molecular formula C20H18N4O4S and a molecular weight of 410.46 g/mol. Its IUPAC name is 5-ethoxy-2-[(4-phenyldiazenylphenyl)diazenyl]benzenesulfonic acid.

Molecular Properties

Compound Name5-ethoxy-2-[(4-phenyldiazenylphenyl)diazenyl]benzenesulfonic acid
PubChem CID3019151
Molecular FormulaC20H18N4O4S
Molecular Weight410.46 g/mol
Exact Mass410.10
IUPAC Name5-ethoxy-2-[(4-phenyldiazenylphenyl)diazenyl]benzenesulfonic acid
SMILESCCOc1ccc(/N=N/c2ccc(/N=N/c3ccccc3)cc2)c(S(=O)(=O)O)c1
InChIInChI=1S/C20H18N4O4S/c1-2-28-18-12-13-19(20(14-18)29(25,26)27)24-23-17-10-8-16(9-11-17)22-21-15-6-4-3-5-7-15/h3-14H,2H2,1H3,(H,25,26,27)/b22-21+,24-23+
InChIKeyWABCRLDBWCNFFW-RLPYSRNMSA-N
XLogP6.16
TPSA113.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.46
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-[3-ethoxy-4-[(1-hydroxy-4-sulfonaphthalen-2-yl)diazenyl]phenyl]phenyl]diazenyl]-4-hydroxynaphthalene-1-sulfonic acid
CID 136714850
2-[(4-ethoxyphenyl)diazenyl]naphthalen-1-ol
CID 3019160
5-phenyldiazenylbenzene-1,2,3,4-tetrasulfonic acid
CID 178182870
2-[[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]phenyl]diazenyl]-5-phenyldiazenylbenzenesulfonic acid
CID 149301473
5-(diethylamino)-2-(pyridin-4-yldiazenyl)benzenesulfonic acid
CID 11739136
2-bromo-4-tert-butyl-6-[(4-ethoxyphenyl)diazenyl]phenol
CID 3360060
3-[[4-[4-[[4-(benzenesulfonyloxy)phenyl]diazenyl]-5-methyl-2-sulfophenyl]-2-methyl-5-sulfophenyl]diazenyl]-4-hydroxynaphthalene-1-sulfonic acid
CID 165360336
3-[[4-[(2-amino-5-hydroxyphenyl)diazenyl]phenyl]diazenyl]-6-phenyldiazenylnaphthalene-2,7-disulfonic acid
CID 136855575
sodium (4-phenyldiazenylanilino)methanesulfonic acid
CID 54606161
CID 131883437
CID 131883437
5-[(3-ethoxy-4-hydroxyphenyl)diazenyl]-2-[4-[(3-ethoxy-4-hydroxyphenyl)diazenyl]-2-sulfophenyl]benzenesulfonic acid
CID 137244001
disodium;5-[(4-ethoxyphenyl)diazenyl]-2-[2-[4-[(4-ethoxyphenyl)diazenyl]-2-sulfonatophenyl]ethyl]benzenesulfonate
CID 24857288

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-2-[(4-phenyldiazenylphenyl)diazenyl]benzenesulfonic acid?
The IUPAC name of 5-ethoxy-2-[(4-phenyldiazenylphenyl)diazenyl]benzenesulfonic acid (CID 3019151) is 5-ethoxy-2-[(4-phenyldiazenylphenyl)diazenyl]benzenesulfonic acid.
What is the SMILES notation for 5-ethoxy-2-[(4-phenyldiazenylphenyl)diazenyl]benzenesulfonic acid?
The canonical SMILES for 5-ethoxy-2-[(4-phenyldiazenylphenyl)diazenyl]benzenesulfonic acid is CCOc1ccc(/N=N/c2ccc(/N=N/c3ccccc3)cc2)c(S(=O)(=O)O)c1.
What is the InChIKey of 5-ethoxy-2-[(4-phenyldiazenylphenyl)diazenyl]benzenesulfonic acid?
The InChIKey is WABCRLDBWCNFFW-RLPYSRNMSA-N. The full InChI is InChI=1S/C20H18N4O4S/c1-2-28-18-12-13-19(20(14-18)29(25,26)27)24-23-17-10-8-16(9-11-17)22-21-15-6-4-3-5-7-15/h3-14H,2H2,1H3,(H,25,26,27)/b22-21+,24-23+.
What are the key properties of 5-ethoxy-2-[(4-phenyldiazenylphenyl)diazenyl]benzenesulfonic acid?
5-ethoxy-2-[(4-phenyldiazenylphenyl)diazenyl]benzenesulfonic acid has a molecular weight of 410.46 g/mol, XLogP of 6.16, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-2-[(4-phenyldiazenylphenyl)diazenyl]benzenesulfonic acid is sourced from PubChem (CID 3019151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).