5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;ethanesulfonic acid

C15H20N4O4S — CID 164616584

IUPAC5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;ethanesulfonic acid
SMILESCCS(=O)(=O)O.CN(C)c1ccc(/N=N/c2ccccn2)c(O)c1
InChIInChI=1S/C13H14N4O.C2H6O3S/c1-17(2)10-6-7-11(12(18)9-10)15-16-13-5-3-4-8-14-13;1-2-6(3,4)5/h3-9,18H,1-2H3;2H2,1H3,(H,3,4,5)/b16-15+;
InChIKeyGNEZEOCAICLACY-GEEYTBSJSA-N
MW352.42 g/mol
LogP3.16
Rot. Bonds4

About 5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;ethanesulfonic acid

5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;ethanesulfonic acid (PubChem CID 164616584) has the molecular formula C15H20N4O4S and a molecular weight of 352.42 g/mol. Its IUPAC name is 5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;ethanesulfonic acid.

Molecular Properties

Compound Name5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;ethanesulfonic acid
PubChem CID164616584
Molecular FormulaC15H20N4O4S
Molecular Weight352.42 g/mol
Exact Mass352.12
IUPAC Name5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;ethanesulfonic acid
SMILESCCS(=O)(=O)O.CN(C)c1ccc(/N=N/c2ccccn2)c(O)c1
InChIInChI=1S/C13H14N4O.C2H6O3S/c1-17(2)10-6-7-11(12(18)9-10)15-16-13-5-3-4-8-14-13;1-2-6(3,4)5/h3-9,18H,1-2H3;2H2,1H3,(H,3,4,5)/b16-15+;
InChIKeyGNEZEOCAICLACY-GEEYTBSJSA-N
XLogP3.16
TPSA115.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 53.16
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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Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;ethanesulfonic acid?
The IUPAC name of 5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;ethanesulfonic acid (CID 164616584) is 5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;ethanesulfonic acid.
What is the SMILES notation for 5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;ethanesulfonic acid?
The canonical SMILES for 5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;ethanesulfonic acid is CCS(=O)(=O)O.CN(C)c1ccc(/N=N/c2ccccn2)c(O)c1.
What is the InChIKey of 5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;ethanesulfonic acid?
The InChIKey is GNEZEOCAICLACY-GEEYTBSJSA-N. The full InChI is InChI=1S/C13H14N4O.C2H6O3S/c1-17(2)10-6-7-11(12(18)9-10)15-16-13-5-3-4-8-14-13;1-2-6(3,4)5/h3-9,18H,1-2H3;2H2,1H3,(H,3,4,5)/b16-15+;.
What are the key properties of 5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;ethanesulfonic acid?
5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;ethanesulfonic acid has a molecular weight of 352.42 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;ethanesulfonic acid is sourced from PubChem (CID 164616584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).