4-[[4-(dimethylamino)phenyl]diazenyl]benzenesulfonic acid

C14H15N3O3S — CID 11037

IUPAC4-[[4-(dimethylamino)phenyl]diazenyl]benzenesulfonic acid
SMILESCN(C)c1ccc(/N=N/c2ccc(S(=O)(=O)O)cc2)cc1
InChIInChI=1S/C14H15N3O3S/c1-17(2)13-7-3-11(4-8-13)15-16-12-5-9-14(10-6-12)21(18,19)20/h3-10H,1-2H3,(H,18,19,20)/b16-15+
InChIKeyIETWCRRCPURZOC-FOCLMDBBSA-N
MW305.36 g/mol
LogP3.41
Rot. Bonds4

About 4-[[4-(dimethylamino)phenyl]diazenyl]benzenesulfonic acid

4-[[4-(dimethylamino)phenyl]diazenyl]benzenesulfonic acid (PubChem CID 11037) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is 4-[[4-(dimethylamino)phenyl]diazenyl]benzenesulfonic acid.

Molecular Properties

Compound Name4-[[4-(dimethylamino)phenyl]diazenyl]benzenesulfonic acid
PubChem CID11037
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name4-[[4-(dimethylamino)phenyl]diazenyl]benzenesulfonic acid
SMILESCN(C)c1ccc(/N=N/c2ccc(S(=O)(=O)O)cc2)cc1
InChIInChI=1S/C14H15N3O3S/c1-17(2)13-7-3-11(4-8-13)15-16-12-5-9-14(10-6-12)21(18,19)20/h3-10H,1-2H3,(H,18,19,20)/b16-15+
InChIKeyIETWCRRCPURZOC-FOCLMDBBSA-N
XLogP3.41
TPSA82.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 4-[[4-(dimethylamino)phenyl]diazenyl]benzenesulfonic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(dimethylamino)phenyl]diazenyl]benzenesulfonic acid?
The IUPAC name of 4-[[4-(dimethylamino)phenyl]diazenyl]benzenesulfonic acid (CID 11037) is 4-[[4-(dimethylamino)phenyl]diazenyl]benzenesulfonic acid.
What is the SMILES notation for 4-[[4-(dimethylamino)phenyl]diazenyl]benzenesulfonic acid?
The canonical SMILES for 4-[[4-(dimethylamino)phenyl]diazenyl]benzenesulfonic acid is CN(C)c1ccc(/N=N/c2ccc(S(=O)(=O)O)cc2)cc1.
What is the InChIKey of 4-[[4-(dimethylamino)phenyl]diazenyl]benzenesulfonic acid?
The InChIKey is IETWCRRCPURZOC-FOCLMDBBSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-17(2)13-7-3-11(4-8-13)15-16-12-5-9-14(10-6-12)21(18,19)20/h3-10H,1-2H3,(H,18,19,20)/b16-15+.
What are the key properties of 4-[[4-(dimethylamino)phenyl]diazenyl]benzenesulfonic acid?
4-[[4-(dimethylamino)phenyl]diazenyl]benzenesulfonic acid has a molecular weight of 305.36 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(dimethylamino)phenyl]diazenyl]benzenesulfonic acid is sourced from PubChem (CID 11037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).