5-(diethylamino)-2-(pyridin-4-yldiazenyl)benzenesulfonic acid

C15H18N4O3S — CID 11739136

IUPAC5-(diethylamino)-2-(pyridin-4-yldiazenyl)benzenesulfonic acid
SMILESCCN(CC)c1ccc(/N=N/c2ccncc2)c(S(=O)(=O)O)c1
InChIInChI=1S/C15H18N4O3S/c1-3-19(4-2)13-5-6-14(15(11-13)23(20,21)22)18-17-12-7-9-16-10-8-12/h5-11H,3-4H2,1-2H3,(H,20,21,22)/b18-17+
InChIKeyMETHAIFMTJGTIF-ISLYRVAYSA-N
MW334.40 g/mol
LogP3.59
Rot. Bonds6

About 5-(diethylamino)-2-(pyridin-4-yldiazenyl)benzenesulfonic acid

5-(diethylamino)-2-(pyridin-4-yldiazenyl)benzenesulfonic acid (PubChem CID 11739136) has the molecular formula C15H18N4O3S and a molecular weight of 334.40 g/mol. Its IUPAC name is 5-(diethylamino)-2-(pyridin-4-yldiazenyl)benzenesulfonic acid.

Molecular Properties

Compound Name5-(diethylamino)-2-(pyridin-4-yldiazenyl)benzenesulfonic acid
PubChem CID11739136
Molecular FormulaC15H18N4O3S
Molecular Weight334.40 g/mol
Exact Mass334.11
IUPAC Name5-(diethylamino)-2-(pyridin-4-yldiazenyl)benzenesulfonic acid
SMILESCCN(CC)c1ccc(/N=N/c2ccncc2)c(S(=O)(=O)O)c1
InChIInChI=1S/C15H18N4O3S/c1-3-19(4-2)13-5-6-14(15(11-13)23(20,21)22)18-17-12-7-9-16-10-8-12/h5-11H,3-4H2,1-2H3,(H,20,21,22)/b18-17+
InChIKeyMETHAIFMTJGTIF-ISLYRVAYSA-N
XLogP3.59
TPSA95.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

N,N-diethyl-4-[[4-(pyridin-4-yldiazenyl)phenyl]diazenyl]aniline
CID 153313292
5-(diethylamino)-2-[4-(diethylamino)-2-sulfophenyl]benzenesulfonic acid
CID 146305575
3-chloro-4-[[4-(diethylamino)phenyl]diazenyl]benzenesulfonyl fluoride
CID 101349793
N,N-diethylpyridin-4-amine;4-methylbenzenesulfonic acid
CID 173208450
5-ethoxy-2-[(4-phenyldiazenylphenyl)diazenyl]benzenesulfonic acid
CID 3019151
SODIUM 4-(4-(BENZYL-ET-AMINO)-PH-AZO)-2,5-DI-CL-BENZENESULFONATE(ACID ORANGE 50)
CID 126959941
5-(diethylamino)-2-[(5-ethyl-1,2-oxazol-3-yl)diazenyl]-4-fluorobenzenesulfonic acid
CID 20654683
1-[5-(diethylamino)-2-(pyrimidin-2-yldiazenyl)phenyl]-2,2,2-trifluoroethanone
CID 20728771
bis(2,2,3,3-tetrafluoropropyl) 4-[[4-[ethyl(2-hydroxyethyl)amino]phenyl]diazenyl]benzene-1,3-disulfonate
CID 3432643
1-N,1-N-diethyl-4-methylsulfonylbenzene-1,3-diamine
CID 56831943
4-[[4-(dimethylamino)-2-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]sulfonylphenyl]diazenyl]benzenesulfonyl chloride
CID 90859043
N-[2-[(5-chloro-2-pyridinyl)diazenyl]-5-(diethylamino)phenyl]-1,1,1-trifluoromethanesulfonamide
CID 20650745

Frequently Asked Questions

What is the IUPAC name of 5-(diethylamino)-2-(pyridin-4-yldiazenyl)benzenesulfonic acid?
The IUPAC name of 5-(diethylamino)-2-(pyridin-4-yldiazenyl)benzenesulfonic acid (CID 11739136) is 5-(diethylamino)-2-(pyridin-4-yldiazenyl)benzenesulfonic acid.
What is the SMILES notation for 5-(diethylamino)-2-(pyridin-4-yldiazenyl)benzenesulfonic acid?
The canonical SMILES for 5-(diethylamino)-2-(pyridin-4-yldiazenyl)benzenesulfonic acid is CCN(CC)c1ccc(/N=N/c2ccncc2)c(S(=O)(=O)O)c1.
What is the InChIKey of 5-(diethylamino)-2-(pyridin-4-yldiazenyl)benzenesulfonic acid?
The InChIKey is METHAIFMTJGTIF-ISLYRVAYSA-N. The full InChI is InChI=1S/C15H18N4O3S/c1-3-19(4-2)13-5-6-14(15(11-13)23(20,21)22)18-17-12-7-9-16-10-8-12/h5-11H,3-4H2,1-2H3,(H,20,21,22)/b18-17+.
What are the key properties of 5-(diethylamino)-2-(pyridin-4-yldiazenyl)benzenesulfonic acid?
5-(diethylamino)-2-(pyridin-4-yldiazenyl)benzenesulfonic acid has a molecular weight of 334.40 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylamino)-2-(pyridin-4-yldiazenyl)benzenesulfonic acid is sourced from PubChem (CID 11739136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).