6-[[2-hydroxy-4-(N-methylanilino)phenyl]diazenyl]pyridine-3-sulfonamide

C18H17N5O3S — CID 135797558

IUPAC6-[[2-hydroxy-4-(N-methylanilino)phenyl]diazenyl]pyridine-3-sulfonamide
SMILESCN(c1ccccc1)c1ccc(/N=N/c2ccc(S(N)(=O)=O)cn2)c(O)c1
InChIInChI=1S/C18H17N5O3S/c1-23(13-5-3-2-4-6-13)14-7-9-16(17(24)11-14)21-22-18-10-8-15(12-20-18)27(19,25)26/h2-12,24H,1H3,(H2,19,25,26)/b22-21+
InChIKeyQZBYQPCSWZMZEU-QURGRASLSA-N
MW383.43 g/mol
LogP3.62
Rot. Bonds5

About 6-[[2-hydroxy-4-(N-methylanilino)phenyl]diazenyl]pyridine-3-sulfonamide

6-[[2-hydroxy-4-(N-methylanilino)phenyl]diazenyl]pyridine-3-sulfonamide (PubChem CID 135797558) has the molecular formula C18H17N5O3S and a molecular weight of 383.43 g/mol. Its IUPAC name is 6-[[2-hydroxy-4-(N-methylanilino)phenyl]diazenyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[[2-hydroxy-4-(N-methylanilino)phenyl]diazenyl]pyridine-3-sulfonamide
PubChem CID135797558
Molecular FormulaC18H17N5O3S
Molecular Weight383.43 g/mol
Exact Mass383.11
IUPAC Name6-[[2-hydroxy-4-(N-methylanilino)phenyl]diazenyl]pyridine-3-sulfonamide
SMILESCN(c1ccccc1)c1ccc(/N=N/c2ccc(S(N)(=O)=O)cn2)c(O)c1
InChIInChI=1S/C18H17N5O3S/c1-23(13-5-3-2-4-6-13)14-7-9-16(17(24)11-14)21-22-18-10-8-15(12-20-18)27(19,25)26/h2-12,24H,1H3,(H2,19,25,26)/b22-21+
InChIKeyQZBYQPCSWZMZEU-QURGRASLSA-N
XLogP3.62
TPSA121.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 53.62
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'}

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Related Compounds

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
5-(Dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;sulfuric acid
CID 164615922
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
Benzenesulfonic acid;5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol
CID 164627541
N-ethyl-6-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-phenylpyridine-3-sulfonamide
CID 4313080
5-(Dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;2-oxopropanoic acid
CID 164611190

Frequently Asked Questions

What is the IUPAC name of 6-[[2-hydroxy-4-(N-methylanilino)phenyl]diazenyl]pyridine-3-sulfonamide?
The IUPAC name of 6-[[2-hydroxy-4-(N-methylanilino)phenyl]diazenyl]pyridine-3-sulfonamide (CID 135797558) is 6-[[2-hydroxy-4-(N-methylanilino)phenyl]diazenyl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-[[2-hydroxy-4-(N-methylanilino)phenyl]diazenyl]pyridine-3-sulfonamide?
The canonical SMILES for 6-[[2-hydroxy-4-(N-methylanilino)phenyl]diazenyl]pyridine-3-sulfonamide is CN(c1ccccc1)c1ccc(/N=N/c2ccc(S(N)(=O)=O)cn2)c(O)c1.
What is the InChIKey of 6-[[2-hydroxy-4-(N-methylanilino)phenyl]diazenyl]pyridine-3-sulfonamide?
The InChIKey is QZBYQPCSWZMZEU-QURGRASLSA-N. The full InChI is InChI=1S/C18H17N5O3S/c1-23(13-5-3-2-4-6-13)14-7-9-16(17(24)11-14)21-22-18-10-8-15(12-20-18)27(19,25)26/h2-12,24H,1H3,(H2,19,25,26)/b22-21+.
What are the key properties of 6-[[2-hydroxy-4-(N-methylanilino)phenyl]diazenyl]pyridine-3-sulfonamide?
6-[[2-hydroxy-4-(N-methylanilino)phenyl]diazenyl]pyridine-3-sulfonamide has a molecular weight of 383.43 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-hydroxy-4-(N-methylanilino)phenyl]diazenyl]pyridine-3-sulfonamide is sourced from PubChem (CID 135797558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).