5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;naphthalene-2-sulfonic acid

C23H22N4O4S — CID 164624948

IUPAC5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;naphthalene-2-sulfonic acid
SMILESCN(C)c1ccc(/N=N/c2ccccn2)c(O)c1.O=S(=O)(O)c1ccc2ccccc2c1
InChIInChI=1S/C13H14N4O.C10H8O3S/c1-17(2)10-6-7-11(12(18)9-10)15-16-13-5-3-4-8-14-13;11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10/h3-9,18H,1-2H3;1-7H,(H,11,12,13)/b16-15+;
InChIKeyYFVCKWALNZKHQG-GEEYTBSJSA-N
MW450.52 g/mol
LogP5.36
Rot. Bonds4

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

5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;naphthalene-2-sulfonic acid (PubChem CID 164624948) has the molecular formula C23H22N4O4S and a molecular weight of 450.52 g/mol. Its IUPAC name is 5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;naphthalene-2-sulfonic acid.

Molecular Properties

Compound Name5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;naphthalene-2-sulfonic acid
PubChem CID164624948
Molecular FormulaC23H22N4O4S
Molecular Weight450.52 g/mol
Exact Mass450.14
IUPAC Name5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;naphthalene-2-sulfonic acid
SMILESCN(C)c1ccc(/N=N/c2ccccn2)c(O)c1.O=S(=O)(O)c1ccc2ccccc2c1
InChIInChI=1S/C13H14N4O.C10H8O3S/c1-17(2)10-6-7-11(12(18)9-10)15-16-13-5-3-4-8-14-13;11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10/h3-9,18H,1-2H3;1-7H,(H,11,12,13)/b16-15+;
InChIKeyYFVCKWALNZKHQG-GEEYTBSJSA-N
XLogP5.36
TPSA115.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.52
LogP ≤ 55.36
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'}

Analyze 5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;naphthalene-2-sulfonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(Dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;4-methylbenzenesulfonic acid
CID 164621903
Benzenesulfonic acid;5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol
CID 164627541
5-(Dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;naphthalene-1,5-disulfonic acid
CID 164622177
2-Naphthalenesulfonic acid, 6-hydroxy-5-(2-pyridinylazo)-
CID 136026393
2-(2-pyridylazo)-5-[N-n-propyl-N-(3-sulfopropyl)amino]phenol
CID 137224441
6-[[2-hydroxy-4-(N-methylanilino)phenyl]diazenyl]pyridine-3-sulfonamide
CID 135797558
potassium 4-[4-[(5-bromo-2-pyridinyl)diazenyl]-N-ethyl-3-hydroxyanilino]-2-methylbenzenesulfonate
CID 136008016
4-[4-[(5-bromo-2-pyridinyl)diazenyl]-N-ethyl-3-hydroxyanilino]-2-methylbenzenesulfonic acid
CID 136008017
6,7-Dihydroxy-5-(pyridin-2-yldiazenyl)naphthalene-2-sulfonic acid
CID 136434956
6,7-Dihydroxy-5-(pyridin-2-yldiazenyl)naphthalene-1,2-disulfonic acid
CID 136461920
Ethane;3-hydroxy-4-(pyridin-2-yldiazenyl)-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid
CID 136635916
3-[4-[(5-cyano-2-pyridinyl)diazenyl]-3-hydroxy-N-propylanilino]propane-1-sulfonic acid
CID 169220632

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;naphthalene-2-sulfonic acid?
The IUPAC name of 5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;naphthalene-2-sulfonic acid (CID 164624948) is 5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;naphthalene-2-sulfonic acid.
What is the SMILES notation for 5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;naphthalene-2-sulfonic acid?
The canonical SMILES for 5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;naphthalene-2-sulfonic acid is CN(C)c1ccc(/N=N/c2ccccn2)c(O)c1.O=S(=O)(O)c1ccc2ccccc2c1.
What is the InChIKey of 5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;naphthalene-2-sulfonic acid?
The InChIKey is YFVCKWALNZKHQG-GEEYTBSJSA-N. The full InChI is InChI=1S/C13H14N4O.C10H8O3S/c1-17(2)10-6-7-11(12(18)9-10)15-16-13-5-3-4-8-14-13;11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10/h3-9,18H,1-2H3;1-7H,(H,11,12,13)/b16-15+;.
What are the key properties of 5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;naphthalene-2-sulfonic acid?
5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;naphthalene-2-sulfonic acid has a molecular weight of 450.52 g/mol, XLogP of 5.36, 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;naphthalene-2-sulfonic acid is sourced from PubChem (CID 164624948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).