4-[(4-hydroxy-3,5-dimethylphenyl)diazenyl]-N-pyridin-2-ylbenzenesulfonamide

C19H18N4O3S — CID 135566898

IUPAC4-[(4-hydroxy-3,5-dimethylphenyl)diazenyl]-N-pyridin-2-ylbenzenesulfonamide
SMILESCc1cc(/N=N/c2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc(C)c1O
InChIInChI=1S/C19H18N4O3S/c1-13-11-16(12-14(2)19(13)24)22-21-15-6-8-17(9-7-15)27(25,26)23-18-5-3-4-10-20-18/h3-12,24H,1-2H3,(H,20,23)/b22-21+
InChIKeyUPZISPNEBVCTRN-QURGRASLSA-N
MW382.45 g/mol
LogP4.62
Rot. Bonds5

About 4-[(4-hydroxy-3,5-dimethylphenyl)diazenyl]-N-pyridin-2-ylbenzenesulfonamide

4-[(4-hydroxy-3,5-dimethylphenyl)diazenyl]-N-pyridin-2-ylbenzenesulfonamide (PubChem CID 135566898) has the molecular formula C19H18N4O3S and a molecular weight of 382.45 g/mol. Its IUPAC name is 4-[(4-hydroxy-3,5-dimethylphenyl)diazenyl]-N-pyridin-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(4-hydroxy-3,5-dimethylphenyl)diazenyl]-N-pyridin-2-ylbenzenesulfonamide
PubChem CID135566898
Molecular FormulaC19H18N4O3S
Molecular Weight382.45 g/mol
Exact Mass382.11
IUPAC Name4-[(4-hydroxy-3,5-dimethylphenyl)diazenyl]-N-pyridin-2-ylbenzenesulfonamide
SMILESCc1cc(/N=N/c2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc(C)c1O
InChIInChI=1S/C19H18N4O3S/c1-13-11-16(12-14(2)19(13)24)22-21-15-6-8-17(9-7-15)27(25,26)23-18-5-3-4-10-20-18/h3-12,24H,1-2H3,(H,20,23)/b22-21+
InChIKeyUPZISPNEBVCTRN-QURGRASLSA-N
XLogP4.62
TPSA104.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.45
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[(4-hydroxy-3,5-dimethylphenyl)diazenyl]-N-pyridin-2-ylbenzenesulfonamide 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-hydroxy-3,5-dimethylphenyl)diazenyl]-N-pyridin-2-ylbenzenesulfonamide?
The IUPAC name of 4-[(4-hydroxy-3,5-dimethylphenyl)diazenyl]-N-pyridin-2-ylbenzenesulfonamide (CID 135566898) is 4-[(4-hydroxy-3,5-dimethylphenyl)diazenyl]-N-pyridin-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-[(4-hydroxy-3,5-dimethylphenyl)diazenyl]-N-pyridin-2-ylbenzenesulfonamide?
The canonical SMILES for 4-[(4-hydroxy-3,5-dimethylphenyl)diazenyl]-N-pyridin-2-ylbenzenesulfonamide is Cc1cc(/N=N/c2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc(C)c1O.
What is the InChIKey of 4-[(4-hydroxy-3,5-dimethylphenyl)diazenyl]-N-pyridin-2-ylbenzenesulfonamide?
The InChIKey is UPZISPNEBVCTRN-QURGRASLSA-N. The full InChI is InChI=1S/C19H18N4O3S/c1-13-11-16(12-14(2)19(13)24)22-21-15-6-8-17(9-7-15)27(25,26)23-18-5-3-4-10-20-18/h3-12,24H,1-2H3,(H,20,23)/b22-21+.
What are the key properties of 4-[(4-hydroxy-3,5-dimethylphenyl)diazenyl]-N-pyridin-2-ylbenzenesulfonamide?
4-[(4-hydroxy-3,5-dimethylphenyl)diazenyl]-N-pyridin-2-ylbenzenesulfonamide has a molecular weight of 382.45 g/mol, XLogP of 4.62, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxy-3,5-dimethylphenyl)diazenyl]-N-pyridin-2-ylbenzenesulfonamide is sourced from PubChem (CID 135566898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).