2-[2-(dicyanomethylidene)hydrazinyl]-5-methoxybenzenesulfonic acid

C10H8N4O4S — CID 169341790

IUPAC2-[2-(dicyanomethylidene)hydrazinyl]-5-methoxybenzenesulfonic acid
SMILESCOc1ccc(NN=C(C#N)C#N)c(S(=O)(=O)O)c1
InChIInChI=1S/C10H8N4O4S/c1-18-8-2-3-9(10(4-8)19(15,16)17)14-13-7(5-11)6-12/h2-4,14H,1H3,(H,15,16,17)
InChIKeyKARPXDHJRYSWDQ-UHFFFAOYSA-N
MW280.27 g/mol
LogP0.76
Rot. Bonds4

About 2-[2-(dicyanomethylidene)hydrazinyl]-5-methoxybenzenesulfonic acid

2-[2-(dicyanomethylidene)hydrazinyl]-5-methoxybenzenesulfonic acid (PubChem CID 169341790) has the molecular formula C10H8N4O4S and a molecular weight of 280.27 g/mol. Its IUPAC name is 2-[2-(dicyanomethylidene)hydrazinyl]-5-methoxybenzenesulfonic acid.

Molecular Properties

Compound Name2-[2-(dicyanomethylidene)hydrazinyl]-5-methoxybenzenesulfonic acid
PubChem CID169341790
Molecular FormulaC10H8N4O4S
Molecular Weight280.27 g/mol
Exact Mass280.03
IUPAC Name2-[2-(dicyanomethylidene)hydrazinyl]-5-methoxybenzenesulfonic acid
SMILESCOc1ccc(NN=C(C#N)C#N)c(S(=O)(=O)O)c1
InChIInChI=1S/C10H8N4O4S/c1-18-8-2-3-9(10(4-8)19(15,16)17)14-13-7(5-11)6-12/h2-4,14H,1H3,(H,15,16,17)
InChIKeyKARPXDHJRYSWDQ-UHFFFAOYSA-N
XLogP0.76
TPSA135.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.27
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_imine_B(17)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 2-[2-(dicyanomethylidene)hydrazinyl]-5-methoxybenzenesulfonic 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

2-[(2-iodo-4-methoxyphenyl)hydrazinylidene]propanedinitrile
CID 169337862
2-[(2-chloro-5-methoxyphenyl)hydrazinylidene]propanedinitrile
CID 169337574
N-[2-[2-(dicyanomethylidene)hydrazinyl]-4-methoxyphenyl]-2-methoxyacetamide
CID 169338288
2-(2,2-dimethylpropanoylamino)-5-methoxybenzenesulfonic acid
CID 121003501
2-[[2-(4-methoxyphenoxy)phenyl]hydrazinylidene]propanedinitrile
CID 169338491
2-[(4-bromo-2-methoxyphenyl)hydrazinylidene]propanedinitrile
CID 169341937
2-[2-(dicyanomethylidene)hydrazinyl]-3,5-dimethylbenzenesulfonic acid
CID 169341716
2-[[2-(4-methoxybenzoyl)phenyl]hydrazinylidene]propanedinitrile
CID 169341142
2-[(4,5-dimethoxy-2-methylphenyl)hydrazinylidene]propanedinitrile
CID 169338095
2-[[3-(4-methoxyphenyl)phenyl]hydrazinylidene]propanedinitrile
CID 169338906
methyl 5-chloro-2-[2-(dicyanomethylidene)hydrazinyl]benzoate
CID 169341688
2-[(2-acetyl-4-hydroxyphenyl)hydrazinylidene]propanedinitrile
CID 169338994

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dicyanomethylidene)hydrazinyl]-5-methoxybenzenesulfonic acid?
The IUPAC name of 2-[2-(dicyanomethylidene)hydrazinyl]-5-methoxybenzenesulfonic acid (CID 169341790) is 2-[2-(dicyanomethylidene)hydrazinyl]-5-methoxybenzenesulfonic acid.
What is the SMILES notation for 2-[2-(dicyanomethylidene)hydrazinyl]-5-methoxybenzenesulfonic acid?
The canonical SMILES for 2-[2-(dicyanomethylidene)hydrazinyl]-5-methoxybenzenesulfonic acid is COc1ccc(NN=C(C#N)C#N)c(S(=O)(=O)O)c1.
What is the InChIKey of 2-[2-(dicyanomethylidene)hydrazinyl]-5-methoxybenzenesulfonic acid?
The InChIKey is KARPXDHJRYSWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O4S/c1-18-8-2-3-9(10(4-8)19(15,16)17)14-13-7(5-11)6-12/h2-4,14H,1H3,(H,15,16,17).
What are the key properties of 2-[2-(dicyanomethylidene)hydrazinyl]-5-methoxybenzenesulfonic acid?
2-[2-(dicyanomethylidene)hydrazinyl]-5-methoxybenzenesulfonic acid has a molecular weight of 280.27 g/mol, XLogP of 0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dicyanomethylidene)hydrazinyl]-5-methoxybenzenesulfonic acid is sourced from PubChem (CID 169341790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).