4-bromo-2-[[4-[4-[(2-fluorophenyl)methylideneamino]phenyl]sulfonylphenyl]iminomethyl]phenol

C26H18BrFN2O3S — CID 135986923

IUPAC4-bromo-2-[[4-[4-[(2-fluorophenyl)methylideneamino]phenyl]sulfonylphenyl]iminomethyl]phenol
SMILESO=S(=O)(c1ccc(/N=C/c2cc(Br)ccc2O)cc1)c1ccc(/N=C/c2ccccc2F)cc1
InChIInChI=1S/C26H18BrFN2O3S/c27-20-5-14-26(31)19(15-20)17-30-22-8-12-24(13-9-22)34(32,33)23-10-6-21(7-11-23)29-16-18-3-1-2-4-25(18)28/h1-17,31H/b29-16+,30-17+
InChIKeyYTMKQQAZYXGSJX-RKMZGRCJSA-N
MW537.41 g/mol
LogP6.63
Rot. Bonds6

About 4-bromo-2-[[4-[4-[(2-fluorophenyl)methylideneamino]phenyl]sulfonylphenyl]iminomethyl]phenol

4-bromo-2-[[4-[4-[(2-fluorophenyl)methylideneamino]phenyl]sulfonylphenyl]iminomethyl]phenol (PubChem CID 135986923) has the molecular formula C26H18BrFN2O3S and a molecular weight of 537.41 g/mol. Its IUPAC name is 4-bromo-2-[[4-[4-[(2-fluorophenyl)methylideneamino]phenyl]sulfonylphenyl]iminomethyl]phenol.

Molecular Properties

Compound Name4-bromo-2-[[4-[4-[(2-fluorophenyl)methylideneamino]phenyl]sulfonylphenyl]iminomethyl]phenol
PubChem CID135986923
Molecular FormulaC26H18BrFN2O3S
Molecular Weight537.41 g/mol
Exact Mass536.02
IUPAC Name4-bromo-2-[[4-[4-[(2-fluorophenyl)methylideneamino]phenyl]sulfonylphenyl]iminomethyl]phenol
SMILESO=S(=O)(c1ccc(/N=C/c2cc(Br)ccc2O)cc1)c1ccc(/N=C/c2ccccc2F)cc1
InChIInChI=1S/C26H18BrFN2O3S/c27-20-5-14-26(31)19(15-20)17-30-22-8-12-24(13-9-22)34(32,33)23-10-6-21(7-11-23)29-16-18-3-1-2-4-25(18)28/h1-17,31H/b29-16+,30-17+
InChIKeyYTMKQQAZYXGSJX-RKMZGRCJSA-N
XLogP6.63
TPSA79.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.41
LogP ≤ 56.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4-bromo-2-[[4-[4-[(2-fluorophenyl)methylideneamino]phenyl]sulfonylphenyl]iminomethyl]phenol 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-bromo-2-hydroxyphenyl)methylideneamino]benzenesulfonic acid
CID 4779411
4-bromo-2-[(4-fluorophenyl)iminomethyl]phenol
CID 707393
2,4-dibromo-6-[[4-[4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]phenyl]sulfonylphenyl]iminomethyl]phenol
CID 4655751
4-bromo-2-[(4-sulfanylphenyl)iminomethyl]phenol
CID 135692449
4-bromo-2-[(4-fluoro-3-methylphenyl)iminomethyl]phenol
CID 135657407
(NE)-N-[(2-hydroxyphenyl)methylidene]-4-[(2-hydroxyphenyl)methylideneamino]benzenesulfonamide
CID 135473169
5-bromo-N-[(2-fluorophenyl)methylideneamino]-2-hydroxybenzamide
CID 762173
N-[4-[(5-bromo-2-hydroxyphenyl)methylideneamino]phenyl]-N-methylacetamide
CID 913370
2-[(4-fluorophenyl)iminomethyl]-4-nitrosophenol
CID 142621660
2-[4-[(5-bromo-2-hydroxyphenyl)methylideneamino]phenyl]acetonitrile
CID 2796509
2-[(2-fluorophenyl)methylideneamino]phenol
CID 677307
4-bromo-2-[2-(2-fluorophenyl)ethyliminomethyl]phenol
CID 135758638

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[[4-[4-[(2-fluorophenyl)methylideneamino]phenyl]sulfonylphenyl]iminomethyl]phenol?
The IUPAC name of 4-bromo-2-[[4-[4-[(2-fluorophenyl)methylideneamino]phenyl]sulfonylphenyl]iminomethyl]phenol (CID 135986923) is 4-bromo-2-[[4-[4-[(2-fluorophenyl)methylideneamino]phenyl]sulfonylphenyl]iminomethyl]phenol.
What is the SMILES notation for 4-bromo-2-[[4-[4-[(2-fluorophenyl)methylideneamino]phenyl]sulfonylphenyl]iminomethyl]phenol?
The canonical SMILES for 4-bromo-2-[[4-[4-[(2-fluorophenyl)methylideneamino]phenyl]sulfonylphenyl]iminomethyl]phenol is O=S(=O)(c1ccc(/N=C/c2cc(Br)ccc2O)cc1)c1ccc(/N=C/c2ccccc2F)cc1.
What is the InChIKey of 4-bromo-2-[[4-[4-[(2-fluorophenyl)methylideneamino]phenyl]sulfonylphenyl]iminomethyl]phenol?
The InChIKey is YTMKQQAZYXGSJX-RKMZGRCJSA-N. The full InChI is InChI=1S/C26H18BrFN2O3S/c27-20-5-14-26(31)19(15-20)17-30-22-8-12-24(13-9-22)34(32,33)23-10-6-21(7-11-23)29-16-18-3-1-2-4-25(18)28/h1-17,31H/b29-16+,30-17+.
What are the key properties of 4-bromo-2-[[4-[4-[(2-fluorophenyl)methylideneamino]phenyl]sulfonylphenyl]iminomethyl]phenol?
4-bromo-2-[[4-[4-[(2-fluorophenyl)methylideneamino]phenyl]sulfonylphenyl]iminomethyl]phenol has a molecular weight of 537.41 g/mol, XLogP of 6.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[[4-[4-[(2-fluorophenyl)methylideneamino]phenyl]sulfonylphenyl]iminomethyl]phenol is sourced from PubChem (CID 135986923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).