2-[(4-ethenylsulfonylphenyl)diazenyl]-4-fluorophenol

C14H11FN2O3S — CID 136954019

IUPAC2-[(4-ethenylsulfonylphenyl)diazenyl]-4-fluorophenol
SMILESC=CS(=O)(=O)c1ccc(/N=N/c2cc(F)ccc2O)cc1
InChIInChI=1S/C14H11FN2O3S/c1-2-21(19,20)12-6-4-11(5-7-12)16-17-13-9-10(15)3-8-14(13)18/h2-9,18H,1H2/b17-16+
InChIKeyIBGIKMKRHYQBKE-WUKNDPDISA-N
MW306.32 g/mol
LogP3.86
Rot. Bonds4

About 2-[(4-ethenylsulfonylphenyl)diazenyl]-4-fluorophenol

2-[(4-ethenylsulfonylphenyl)diazenyl]-4-fluorophenol (PubChem CID 136954019) has the molecular formula C14H11FN2O3S and a molecular weight of 306.32 g/mol. Its IUPAC name is 2-[(4-ethenylsulfonylphenyl)diazenyl]-4-fluorophenol.

Molecular Properties

Compound Name2-[(4-ethenylsulfonylphenyl)diazenyl]-4-fluorophenol
PubChem CID136954019
Molecular FormulaC14H11FN2O3S
Molecular Weight306.32 g/mol
Exact Mass306.05
IUPAC Name2-[(4-ethenylsulfonylphenyl)diazenyl]-4-fluorophenol
SMILESC=CS(=O)(=O)c1ccc(/N=N/c2cc(F)ccc2O)cc1
InChIInChI=1S/C14H11FN2O3S/c1-2-21(19,20)12-6-4-11(5-7-12)16-17-13-9-10(15)3-8-14(13)18/h2-9,18H,1H2/b17-16+
InChIKeyIBGIKMKRHYQBKE-WUKNDPDISA-N
XLogP3.86
TPSA79.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[(4-ethenylsulfonylphenyl)diazenyl]-4-fluorophenol 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

4-[(5-fluoro-2-hydroxyphenyl)diazenyl]benzenesulfonic acid
CID 136728610
CID 170845739
CID 170845739
4-[[2,4-dihydroxy-5-[(4-hydroxyphenyl)diazenyl]phenyl]diazenyl]benzenesulfonic acid
CID 136679511
sodium 5-[(2-hydroxy-5-sulfophenyl)diazenyl]-2-[(E)-2-[4-[(2-hydroxy-5-sulfophenyl)diazenyl]-2-sulfophenyl]ethenyl]benzenesulfonic acid
CID 135499455
4-hydroxy-3-[(2-hydroxyphenyl)diazenyl]benzenesulfonic acid
CID 135672570
4-[[2-hydroxy-5-[10,15,20-tris[4-hydroxy-3-[(4-sulfophenyl)diazenyl]phenyl]-5,10,15,20-tetramethyl-21,22,23,24-tetrahydroporphyrin-5-yl]phenyl]diazenyl]benzenesulfonic acid
CID 25199406
CID 137190326
CID 137190326
CID 170841045
CID 170841045
2-ethyl-3-hydroxy-6-[(4-sulfophenyl)diazenyl]phenolate
CID 136880485
1-[4-[[6-carboxy-3-[[4-[(4-ethenylsulfonylphenyl)diazenyl]naphthalen-1-yl]diazenyl]-2,4-dihydroxyphenyl]diazenyl]phenyl]ethenesulfinate
CID 154602841
4-[(2-bromo-4-ethenylsulfonylphenyl)diazenyl]-N-phenylaniline
CID 3023954
3-[(4-ethenylphenyl)diazenyl]-2-hydroxy-5-sulfobenzoic acid
CID 136670891

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethenylsulfonylphenyl)diazenyl]-4-fluorophenol?
The IUPAC name of 2-[(4-ethenylsulfonylphenyl)diazenyl]-4-fluorophenol (CID 136954019) is 2-[(4-ethenylsulfonylphenyl)diazenyl]-4-fluorophenol.
What is the SMILES notation for 2-[(4-ethenylsulfonylphenyl)diazenyl]-4-fluorophenol?
The canonical SMILES for 2-[(4-ethenylsulfonylphenyl)diazenyl]-4-fluorophenol is C=CS(=O)(=O)c1ccc(/N=N/c2cc(F)ccc2O)cc1.
What is the InChIKey of 2-[(4-ethenylsulfonylphenyl)diazenyl]-4-fluorophenol?
The InChIKey is IBGIKMKRHYQBKE-WUKNDPDISA-N. The full InChI is InChI=1S/C14H11FN2O3S/c1-2-21(19,20)12-6-4-11(5-7-12)16-17-13-9-10(15)3-8-14(13)18/h2-9,18H,1H2/b17-16+.
What are the key properties of 2-[(4-ethenylsulfonylphenyl)diazenyl]-4-fluorophenol?
2-[(4-ethenylsulfonylphenyl)diazenyl]-4-fluorophenol has a molecular weight of 306.32 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethenylsulfonylphenyl)diazenyl]-4-fluorophenol is sourced from PubChem (CID 136954019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).