3-hydrazinyl-2-methyl-6-[(2-methylphenyl)diazenyl]benzenesulfonic acid

C14H16N4O3S — CID 57182085

IUPAC3-hydrazinyl-2-methyl-6-[(2-methylphenyl)diazenyl]benzenesulfonic acid
SMILESCc1ccccc1/N=N/c1ccc(NN)c(C)c1S(=O)(=O)O
InChIInChI=1S/C14H16N4O3S/c1-9-5-3-4-6-11(9)17-18-13-8-7-12(16-15)10(2)14(13)22(19,20)21/h3-8,16H,15H2,1-2H3,(H,19,20,21)/b18-17+
InChIKeyVAFWFHIEZBCHHZ-ISLYRVAYSA-N
MW320.37 g/mol
LogP3.25
Rot. Bonds4

About 3-hydrazinyl-2-methyl-6-[(2-methylphenyl)diazenyl]benzenesulfonic acid

3-hydrazinyl-2-methyl-6-[(2-methylphenyl)diazenyl]benzenesulfonic acid (PubChem CID 57182085) has the molecular formula C14H16N4O3S and a molecular weight of 320.37 g/mol. Its IUPAC name is 3-hydrazinyl-2-methyl-6-[(2-methylphenyl)diazenyl]benzenesulfonic acid.

Molecular Properties

Compound Name3-hydrazinyl-2-methyl-6-[(2-methylphenyl)diazenyl]benzenesulfonic acid
PubChem CID57182085
Molecular FormulaC14H16N4O3S
Molecular Weight320.37 g/mol
Exact Mass320.09
IUPAC Name3-hydrazinyl-2-methyl-6-[(2-methylphenyl)diazenyl]benzenesulfonic acid
SMILESCc1ccccc1/N=N/c1ccc(NN)c(C)c1S(=O)(=O)O
InChIInChI=1S/C14H16N4O3S/c1-9-5-3-4-6-11(9)17-18-13-8-7-12(16-15)10(2)14(13)22(19,20)21/h3-8,16H,15H2,1-2H3,(H,19,20,21)/b18-17+
InChIKeyVAFWFHIEZBCHHZ-ISLYRVAYSA-N
XLogP3.25
TPSA117.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 53.25
H-Bond Donors ≤ 53
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': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethylmethanamine;ethane;methanesulfonic acid;(2-methylphenyl)-(1,7,8-trimethylnaphthalen-2-yl)diazene
CID 91113750
2-amino-4-methyl-5-[(2-sulfophenyl)diazenyl]benzene-1,3-disulfonic acid
CID 172851952
1-(aminodiazenyl)-2-methylbenzene
CID 21467423
5-amino-4-hydroxy-6-[(2-methylphenyl)diazenyl]naphthalene-2-sulfonic acid;ethane
CID 136622133
hydrogen sulfate;[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]iminoazanium
CID 51063117
5-amino-2-[(4-amino-2-methylphenyl)diazenyl]benzenesulfonic acid;aniline;ethane
CID 144788097
2-[(4-amino-2-ethylphenyl)diazenyl]naphthalene-1-sulfonic acid
CID 139781247
3-(aminodiazenyl)benzene-1,2-disulfonic acid
CID 88516198
sulfuric acid;bis(1,2-xylene)
CID 174805286
calcium;2,6-dimethylbenzenesulfonic acid;hydride
CID 174636725
4-amino-3-[(5-amino-4-methyl-2-sulfophenyl)diazenyl]-5-hydroxy-6-[(1-sulfonaphthalen-2-yl)diazenyl]naphthalene-2,7-disulfonic acid
CID 135977968
2-hydrazinylbenzenesulfonic acid;hydrate
CID 87148445

Frequently Asked Questions

What is the IUPAC name of 3-hydrazinyl-2-methyl-6-[(2-methylphenyl)diazenyl]benzenesulfonic acid?
The IUPAC name of 3-hydrazinyl-2-methyl-6-[(2-methylphenyl)diazenyl]benzenesulfonic acid (CID 57182085) is 3-hydrazinyl-2-methyl-6-[(2-methylphenyl)diazenyl]benzenesulfonic acid.
What is the SMILES notation for 3-hydrazinyl-2-methyl-6-[(2-methylphenyl)diazenyl]benzenesulfonic acid?
The canonical SMILES for 3-hydrazinyl-2-methyl-6-[(2-methylphenyl)diazenyl]benzenesulfonic acid is Cc1ccccc1/N=N/c1ccc(NN)c(C)c1S(=O)(=O)O.
What is the InChIKey of 3-hydrazinyl-2-methyl-6-[(2-methylphenyl)diazenyl]benzenesulfonic acid?
The InChIKey is VAFWFHIEZBCHHZ-ISLYRVAYSA-N. The full InChI is InChI=1S/C14H16N4O3S/c1-9-5-3-4-6-11(9)17-18-13-8-7-12(16-15)10(2)14(13)22(19,20)21/h3-8,16H,15H2,1-2H3,(H,19,20,21)/b18-17+.
What are the key properties of 3-hydrazinyl-2-methyl-6-[(2-methylphenyl)diazenyl]benzenesulfonic acid?
3-hydrazinyl-2-methyl-6-[(2-methylphenyl)diazenyl]benzenesulfonic acid has a molecular weight of 320.37 g/mol, XLogP of 3.25, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydrazinyl-2-methyl-6-[(2-methylphenyl)diazenyl]benzenesulfonic acid is sourced from PubChem (CID 57182085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).