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

C19H20N4O4S — CID 164627541

IUPACbenzenesulfonic acid;5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol
SMILESCN(C)c1ccc(/N=N/c2ccccn2)c(O)c1.O=S(=O)(O)c1ccccc1
InChIInChI=1S/C13H14N4O.C6H6O3S/c1-17(2)10-6-7-11(12(18)9-10)15-16-13-5-3-4-8-14-13;7-10(8,9)6-4-2-1-3-5-6/h3-9,18H,1-2H3;1-5H,(H,7,8,9)/b16-15+;
InChIKeyOUYBOPYVKLCCKM-GEEYTBSJSA-N
MW400.46 g/mol
LogP4.20
Rot. Bonds4

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

benzenesulfonic acid;5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol (PubChem CID 164627541) has the molecular formula C19H20N4O4S and a molecular weight of 400.46 g/mol. Its IUPAC name is benzenesulfonic acid;5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol.

Molecular Properties

Compound Namebenzenesulfonic acid;5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol
PubChem CID164627541
Molecular FormulaC19H20N4O4S
Molecular Weight400.46 g/mol
Exact Mass400.12
IUPAC Namebenzenesulfonic acid;5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol
SMILESCN(C)c1ccc(/N=N/c2ccccn2)c(O)c1.O=S(=O)(O)c1ccccc1
InChIInChI=1S/C13H14N4O.C6H6O3S/c1-17(2)10-6-7-11(12(18)9-10)15-16-13-5-3-4-8-14-13;7-10(8,9)6-4-2-1-3-5-6/h3-9,18H,1-2H3;1-5H,(H,7,8,9)/b16-15+;
InChIKeyOUYBOPYVKLCCKM-GEEYTBSJSA-N
XLogP4.20
TPSA115.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 54.20
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

2-(5-Bromo-2-pyridylazo)-5-(diethylamino)phenol
CID 339622
2-(2-Pyridylazo)-5-dimethylaminophenol
CID 135741596
ERGi-USU-6 (mesylate)
CID 163198555
(Z)-but-2-enedioic acid;5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol
CID 164610568
Butanedioic acid;5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol
CID 164614947
5-(Dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;sulfuric acid
CID 164615922
5-(Dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;oxalic acid
CID 164616247
5-(Dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;hydrochloride
CID 164616673
5-(Dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;nitric acid
CID 164617591
5-(Dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;4-methylbenzenesulfonic acid
CID 164621903
5-(Dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;ethane-1,2-disulfonic acid
CID 164623886
5-(Dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;hydrobromide
CID 164625058

Frequently Asked Questions

What is the IUPAC name of benzenesulfonic acid;5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol?
The IUPAC name of benzenesulfonic acid;5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol (CID 164627541) is benzenesulfonic acid;5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol.
What is the SMILES notation for benzenesulfonic acid;5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol?
The canonical SMILES for benzenesulfonic acid;5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol is CN(C)c1ccc(/N=N/c2ccccn2)c(O)c1.O=S(=O)(O)c1ccccc1.
What is the InChIKey of benzenesulfonic acid;5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol?
The InChIKey is OUYBOPYVKLCCKM-GEEYTBSJSA-N. The full InChI is InChI=1S/C13H14N4O.C6H6O3S/c1-17(2)10-6-7-11(12(18)9-10)15-16-13-5-3-4-8-14-13;7-10(8,9)6-4-2-1-3-5-6/h3-9,18H,1-2H3;1-5H,(H,7,8,9)/b16-15+;.
What are the key properties of benzenesulfonic acid;5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol?
benzenesulfonic acid;5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol has a molecular weight of 400.46 g/mol, XLogP of 4.20, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzenesulfonic acid;5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol is sourced from PubChem (CID 164627541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).