4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]benzenesulfonamide

C13H10Br2N2O3S — CID 1286583

IUPAC4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(/N=C/c2cc(Br)cc(Br)c2O)cc1
InChIInChI=1S/C13H10Br2N2O3S/c14-9-5-8(13(18)12(15)6-9)7-17-10-1-3-11(4-2-10)21(16,19)20/h1-7,18H,(H2,16,19,20)/b17-7+
InChIKeyHKDCGILVWMDWEN-REZTVBANSA-N
MW434.11 g/mol
LogP3.32
Rot. Bonds3

About 4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]benzenesulfonamide

4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]benzenesulfonamide (PubChem CID 1286583) has the molecular formula C13H10Br2N2O3S and a molecular weight of 434.11 g/mol. Its IUPAC name is 4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]benzenesulfonamide
PubChem CID1286583
Molecular FormulaC13H10Br2N2O3S
Molecular Weight434.11 g/mol
Exact Mass431.88
IUPAC Name4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(/N=C/c2cc(Br)cc(Br)c2O)cc1
InChIInChI=1S/C13H10Br2N2O3S/c14-9-5-8(13(18)12(15)6-9)7-17-10-1-3-11(4-2-10)21(16,19)20/h1-7,18H,(H2,16,19,20)/b17-7+
InChIKeyHKDCGILVWMDWEN-REZTVBANSA-N
XLogP3.32
TPSA92.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.11
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-((2-Hydroxybenzylidene)amino)benzenesulfonamide
CID 308397
4-[(5-Bromo-2-hydroxybenzylidene)amino]benzenesulfonamide
CID 1286568
4-[(3,5-Dibromo-2-hydroxyphenyl)methylamino]benzenesulfonamide
CID 127027097
4-[(4-Bromo-2-hydroxyphenyl)methylideneamino]benzenesulfonamide
CID 136044222
4-[(2-Hydroxy-3-methylphenyl)methylideneamino]benzenesulfonamide
CID 136053622
4-[2-[(3,5-Dibromo-2-hydroxyphenyl)methylideneamino]ethyl]benzenesulfonamide
CID 136934908
4-[(5-Bromo-3-chloro-2-hydroxyphenyl)methylideneamino]benzenesulfonamide
CID 168275974
2,4-Dibromo-6-((2-fluoro-phenylimino)-methyl)-phenol
CID 1286581
4-Bromo-2-({[4-(1-piperidinylsulfonyl)phenyl]imino}methyl)phenol
CID 1011523
2,4-dibromo-6-{(E)-[(2-hydroxyphenyl)imino]methyl}phenol
CID 1286577
Phenol, 2,4-dibromo-6-[[(4-hydroxyphenyl)imino]methyl]-
CID 135452125
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-nitrobenzenesulfonamide
CID 137100872

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]benzenesulfonamide?
The IUPAC name of 4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]benzenesulfonamide (CID 1286583) is 4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]benzenesulfonamide.
What is the SMILES notation for 4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]benzenesulfonamide?
The canonical SMILES for 4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]benzenesulfonamide is NS(=O)(=O)c1ccc(/N=C/c2cc(Br)cc(Br)c2O)cc1.
What is the InChIKey of 4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]benzenesulfonamide?
The InChIKey is HKDCGILVWMDWEN-REZTVBANSA-N. The full InChI is InChI=1S/C13H10Br2N2O3S/c14-9-5-8(13(18)12(15)6-9)7-17-10-1-3-11(4-2-10)21(16,19)20/h1-7,18H,(H2,16,19,20)/b17-7+.
What are the key properties of 4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]benzenesulfonamide?
4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]benzenesulfonamide has a molecular weight of 434.11 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]benzenesulfonamide is sourced from PubChem (CID 1286583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).