2,4-dibromo-6-[(4-piperidin-1-ylsulfonylphenyl)iminomethyl]phenol

C18H18Br2N2O3S — CID 135778678

IUPAC2,4-dibromo-6-[(4-piperidin-1-ylsulfonylphenyl)iminomethyl]phenol
SMILESO=S(=O)(c1ccc(/N=C/c2cc(Br)cc(Br)c2O)cc1)N1CCCCC1
InChIInChI=1S/C18H18Br2N2O3S/c19-14-10-13(18(23)17(20)11-14)12-21-15-4-6-16(7-5-15)26(24,25)22-8-2-1-3-9-22/h4-7,10-12,23H,1-3,8-9H2/b21-12+
InChIKeyGTOZNIIRJGAVSB-CIAFOILYSA-N
MW502.23 g/mol
LogP4.84
Rot. Bonds4

About 2,4-dibromo-6-[(4-piperidin-1-ylsulfonylphenyl)iminomethyl]phenol

2,4-dibromo-6-[(4-piperidin-1-ylsulfonylphenyl)iminomethyl]phenol (PubChem CID 135778678) has the molecular formula C18H18Br2N2O3S and a molecular weight of 502.23 g/mol. Its IUPAC name is 2,4-dibromo-6-[(4-piperidin-1-ylsulfonylphenyl)iminomethyl]phenol.

Molecular Properties

Compound Name2,4-dibromo-6-[(4-piperidin-1-ylsulfonylphenyl)iminomethyl]phenol
PubChem CID135778678
Molecular FormulaC18H18Br2N2O3S
Molecular Weight502.23 g/mol
Exact Mass499.94
IUPAC Name2,4-dibromo-6-[(4-piperidin-1-ylsulfonylphenyl)iminomethyl]phenol
SMILESO=S(=O)(c1ccc(/N=C/c2cc(Br)cc(Br)c2O)cc1)N1CCCCC1
InChIInChI=1S/C18H18Br2N2O3S/c19-14-10-13(18(23)17(20)11-14)12-21-15-4-6-16(7-5-15)26(24,25)22-8-2-1-3-9-22/h4-7,10-12,23H,1-3,8-9H2/b21-12+
InChIKeyGTOZNIIRJGAVSB-CIAFOILYSA-N
XLogP4.84
TPSA69.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.23
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2,4-dibromo-6-[(4-piperidin-1-ylsulfonylphenyl)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-[(4-piperidin-1-ylsulfonylphenyl)iminomethyl]benzene-1,3-diol
CID 4512993
1-(2,4-dimethylphenyl)-N-(4-piperidin-1-ylsulfonylphenyl)methanimine
CID 23941120
2-[4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]phenyl]sulfonylguanidine
CID 4572847
1-(2-methylphenyl)-N-(4-piperidin-1-ylsulfonylphenyl)methanimine
CID 910303
N-(aminomethyl)-4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]benzenesulfonamide
CID 142691931
2-bromo-4-tert-butyl-6-[(4-piperidin-1-ylsulfonylphenyl)diazenyl]phenol
CID 3360949
N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(4-methoxyphenyl)methanimine
CID 4511187
4-bromo-2-[(2-methoxy-4-piperidin-1-ylsulfonylphenyl)iminomethyl]phenol
CID 2351511
1-(4-chlorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)methanimine
CID 969315
2,4-dibromo-6-(piperidin-1-yliminomethyl)phenol
CID 135709522
N-(4-piperidin-1-ylsulfonylphenyl)-1-thiophen-3-ylmethanimine
CID 23819949
4-[(5-bromo-2-hydroxyphenyl)methylideneamino]benzenesulfonic acid
CID 4779411

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-6-[(4-piperidin-1-ylsulfonylphenyl)iminomethyl]phenol?
The IUPAC name of 2,4-dibromo-6-[(4-piperidin-1-ylsulfonylphenyl)iminomethyl]phenol (CID 135778678) is 2,4-dibromo-6-[(4-piperidin-1-ylsulfonylphenyl)iminomethyl]phenol.
What is the SMILES notation for 2,4-dibromo-6-[(4-piperidin-1-ylsulfonylphenyl)iminomethyl]phenol?
The canonical SMILES for 2,4-dibromo-6-[(4-piperidin-1-ylsulfonylphenyl)iminomethyl]phenol is O=S(=O)(c1ccc(/N=C/c2cc(Br)cc(Br)c2O)cc1)N1CCCCC1.
What is the InChIKey of 2,4-dibromo-6-[(4-piperidin-1-ylsulfonylphenyl)iminomethyl]phenol?
The InChIKey is GTOZNIIRJGAVSB-CIAFOILYSA-N. The full InChI is InChI=1S/C18H18Br2N2O3S/c19-14-10-13(18(23)17(20)11-14)12-21-15-4-6-16(7-5-15)26(24,25)22-8-2-1-3-9-22/h4-7,10-12,23H,1-3,8-9H2/b21-12+.
What are the key properties of 2,4-dibromo-6-[(4-piperidin-1-ylsulfonylphenyl)iminomethyl]phenol?
2,4-dibromo-6-[(4-piperidin-1-ylsulfonylphenyl)iminomethyl]phenol has a molecular weight of 502.23 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-6-[(4-piperidin-1-ylsulfonylphenyl)iminomethyl]phenol is sourced from PubChem (CID 135778678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).