2-[(2-hydroxy-4-morpholin-4-ylnaphthalen-1-yl)diazenyl]benzenesulfonic acid

C20H19N3O5S — CID 136845954

IUPAC2-[(2-hydroxy-4-morpholin-4-ylnaphthalen-1-yl)diazenyl]benzenesulfonic acid
SMILESO=S(=O)(O)c1ccccc1/N=N/c1c(O)cc(N2CCOCC2)c2ccccc12
InChIInChI=1S/C20H19N3O5S/c24-18-13-17(23-9-11-28-12-10-23)14-5-1-2-6-15(14)20(18)22-21-16-7-3-4-8-19(16)29(25,26)27/h1-8,13,24H,9-12H2,(H,25,26,27)/b22-21+
InChIKeyIEORFISWMNDXME-QURGRASLSA-N
MW413.46 g/mol
LogP4.04
Rot. Bonds4

About 2-[(2-hydroxy-4-morpholin-4-ylnaphthalen-1-yl)diazenyl]benzenesulfonic acid

2-[(2-hydroxy-4-morpholin-4-ylnaphthalen-1-yl)diazenyl]benzenesulfonic acid (PubChem CID 136845954) has the molecular formula C20H19N3O5S and a molecular weight of 413.46 g/mol. Its IUPAC name is 2-[(2-hydroxy-4-morpholin-4-ylnaphthalen-1-yl)diazenyl]benzenesulfonic acid.

Molecular Properties

Compound Name2-[(2-hydroxy-4-morpholin-4-ylnaphthalen-1-yl)diazenyl]benzenesulfonic acid
PubChem CID136845954
Molecular FormulaC20H19N3O5S
Molecular Weight413.46 g/mol
Exact Mass413.10
IUPAC Name2-[(2-hydroxy-4-morpholin-4-ylnaphthalen-1-yl)diazenyl]benzenesulfonic acid
SMILESO=S(=O)(O)c1ccccc1/N=N/c1c(O)cc(N2CCOCC2)c2ccccc12
InChIInChI=1S/C20H19N3O5S/c24-18-13-17(23-9-11-28-12-10-23)14-5-1-2-6-15(14)20(18)22-21-16-7-3-4-8-19(16)29(25,26)27/h1-8,13,24H,9-12H2,(H,25,26,27)/b22-21+
InChIKeyIEORFISWMNDXME-QURGRASLSA-N
XLogP4.04
TPSA111.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.46
LogP ≤ 54.04
H-Bond Donors ≤ 52
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

6-hydroxy-5-[(2-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid
CID 135467867
6-hydroxy-5-[[4-[(2-sulfophenyl)diazenyl]naphthalen-1-yl]diazenyl]naphthalene-2-sulfonic acid
CID 137281246
4-hydroxy-3-[(2-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid
CID 136880360
sodium 6-hydroxy-5-[(2-sulfophenyl)diazenyl]naphthalene-2-sulfonate
CID 136682992
1-chloro-4-morpholin-4-ylnaphthalen-2-ol;4-morpholin-4-ylnaphthalen-2-ol
CID 159654174
4-hydroxy-1-[(4-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid
CID 136829722
ethane;4-[4-(4-hydroxyphenyl)piperazin-1-yl]-1-nitrosonaphthalen-2-ol
CID 90725026
2-morpholin-4-ylsulfonylphenol
CID 79020270
2-[[1-hydroxy-8-[(4-morpholin-4-yl-6-oxo-1H-1,3,5-triazin-2-yl)amino]-3,5-disulfonaphthalen-2-yl]diazenyl]benzoic acid
CID 142080266
5-hydroxy-4-[(4-morpholin-4-yl-6-oxo-1H-1,3,5-triazin-2-yl)amino]-6-[(1-sulfonaphthalen-2-yl)diazenyl]-7-(trihydroxy-λ4-sulfanyl)naphthalene-2-sulfonic acid
CID 135997814
3-hydroxy-4-[(3-methyl-4-nitrophenyl)diazenyl]naphthalene-1-sulfonic acid
CID 136855701
2-(methoxydiazenyl)benzenesulfonic acid
CID 88514603

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-4-morpholin-4-ylnaphthalen-1-yl)diazenyl]benzenesulfonic acid?
The IUPAC name of 2-[(2-hydroxy-4-morpholin-4-ylnaphthalen-1-yl)diazenyl]benzenesulfonic acid (CID 136845954) is 2-[(2-hydroxy-4-morpholin-4-ylnaphthalen-1-yl)diazenyl]benzenesulfonic acid.
What is the SMILES notation for 2-[(2-hydroxy-4-morpholin-4-ylnaphthalen-1-yl)diazenyl]benzenesulfonic acid?
The canonical SMILES for 2-[(2-hydroxy-4-morpholin-4-ylnaphthalen-1-yl)diazenyl]benzenesulfonic acid is O=S(=O)(O)c1ccccc1/N=N/c1c(O)cc(N2CCOCC2)c2ccccc12.
What is the InChIKey of 2-[(2-hydroxy-4-morpholin-4-ylnaphthalen-1-yl)diazenyl]benzenesulfonic acid?
The InChIKey is IEORFISWMNDXME-QURGRASLSA-N. The full InChI is InChI=1S/C20H19N3O5S/c24-18-13-17(23-9-11-28-12-10-23)14-5-1-2-6-15(14)20(18)22-21-16-7-3-4-8-19(16)29(25,26)27/h1-8,13,24H,9-12H2,(H,25,26,27)/b22-21+.
What are the key properties of 2-[(2-hydroxy-4-morpholin-4-ylnaphthalen-1-yl)diazenyl]benzenesulfonic acid?
2-[(2-hydroxy-4-morpholin-4-ylnaphthalen-1-yl)diazenyl]benzenesulfonic acid has a molecular weight of 413.46 g/mol, XLogP of 4.04, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-4-morpholin-4-ylnaphthalen-1-yl)diazenyl]benzenesulfonic acid is sourced from PubChem (CID 136845954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).