[2-[(4-hydroxyphenyl)diazenyl]phenyl] 4-methylbenzenesulfonate

C19H16N2O4S — CID 142716802

IUPAC[2-[(4-hydroxyphenyl)diazenyl]phenyl] 4-methylbenzenesulfonate
SMILESCc1ccc(S(=O)(=O)Oc2ccccc2/N=N/c2ccc(O)cc2)cc1
InChIInChI=1S/C19H16N2O4S/c1-14-6-12-17(13-7-14)26(23,24)25-19-5-3-2-4-18(19)21-20-15-8-10-16(22)11-9-15/h2-13,22H,1H3/b21-20+
InChIKeyVRMYDQRNAUEBEU-QZQOTICOSA-N
MW368.41 g/mol
LogP4.88
Rot. Bonds5

About [2-[(4-hydroxyphenyl)diazenyl]phenyl] 4-methylbenzenesulfonate

[2-[(4-hydroxyphenyl)diazenyl]phenyl] 4-methylbenzenesulfonate (PubChem CID 142716802) has the molecular formula C19H16N2O4S and a molecular weight of 368.41 g/mol. Its IUPAC name is [2-[(4-hydroxyphenyl)diazenyl]phenyl] 4-methylbenzenesulfonate.

Molecular Properties

Compound Name[2-[(4-hydroxyphenyl)diazenyl]phenyl] 4-methylbenzenesulfonate
PubChem CID142716802
Molecular FormulaC19H16N2O4S
Molecular Weight368.41 g/mol
Exact Mass368.08
IUPAC Name[2-[(4-hydroxyphenyl)diazenyl]phenyl] 4-methylbenzenesulfonate
SMILESCc1ccc(S(=O)(=O)Oc2ccccc2/N=N/c2ccc(O)cc2)cc1
InChIInChI=1S/C19H16N2O4S/c1-14-6-12-17(13-7-14)26(23,24)25-19-5-3-2-4-18(19)21-20-15-8-10-16(22)11-9-15/h2-13,22H,1H3/b21-20+
InChIKeyVRMYDQRNAUEBEU-QZQOTICOSA-N
XLogP4.88
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 54.88
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_1', 'substructure': 'N/A'}

Analyze [2-[(4-hydroxyphenyl)diazenyl]phenyl] 4-methylbenzenesulfonate 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 [2-[(4-hydroxyphenyl)diazenyl]phenyl] 4-methylbenzenesulfonate?
The IUPAC name of [2-[(4-hydroxyphenyl)diazenyl]phenyl] 4-methylbenzenesulfonate (CID 142716802) is [2-[(4-hydroxyphenyl)diazenyl]phenyl] 4-methylbenzenesulfonate.
What is the SMILES notation for [2-[(4-hydroxyphenyl)diazenyl]phenyl] 4-methylbenzenesulfonate?
The canonical SMILES for [2-[(4-hydroxyphenyl)diazenyl]phenyl] 4-methylbenzenesulfonate is Cc1ccc(S(=O)(=O)Oc2ccccc2/N=N/c2ccc(O)cc2)cc1.
What is the InChIKey of [2-[(4-hydroxyphenyl)diazenyl]phenyl] 4-methylbenzenesulfonate?
The InChIKey is VRMYDQRNAUEBEU-QZQOTICOSA-N. The full InChI is InChI=1S/C19H16N2O4S/c1-14-6-12-17(13-7-14)26(23,24)25-19-5-3-2-4-18(19)21-20-15-8-10-16(22)11-9-15/h2-13,22H,1H3/b21-20+.
What are the key properties of [2-[(4-hydroxyphenyl)diazenyl]phenyl] 4-methylbenzenesulfonate?
[2-[(4-hydroxyphenyl)diazenyl]phenyl] 4-methylbenzenesulfonate has a molecular weight of 368.41 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-hydroxyphenyl)diazenyl]phenyl] 4-methylbenzenesulfonate is sourced from PubChem (CID 142716802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).