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

C15H14Br2N2O3S — CID 136934908

IUPAC4-[2-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CC/N=C/c2cc(Br)cc(Br)c2O)cc1
InChIInChI=1S/C15H14Br2N2O3S/c16-12-7-11(15(20)14(17)8-12)9-19-6-5-10-1-3-13(4-2-10)23(18,21)22/h1-4,7-9,20H,5-6H2,(H2,18,21,22)/b19-9+
InChIKeyLYDVPSKXQJAOQK-DJKKODMXSA-N
MW462.16 g/mol
LogP3.23
Rot. Bonds5

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

4-[2-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]ethyl]benzenesulfonamide (PubChem CID 136934908) has the molecular formula C15H14Br2N2O3S and a molecular weight of 462.16 g/mol. Its IUPAC name is 4-[2-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]ethyl]benzenesulfonamide
PubChem CID136934908
Molecular FormulaC15H14Br2N2O3S
Molecular Weight462.16 g/mol
Exact Mass459.91
IUPAC Name4-[2-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CC/N=C/c2cc(Br)cc(Br)c2O)cc1
InChIInChI=1S/C15H14Br2N2O3S/c16-12-7-11(15(20)14(17)8-12)9-19-6-5-10-1-3-13(4-2-10)23(18,21)22/h1-4,7-9,20H,5-6H2,(H2,18,21,22)/b19-9+
InChIKeyLYDVPSKXQJAOQK-DJKKODMXSA-N
XLogP3.23
TPSA92.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.16
LogP ≤ 53.23
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

2,4-dibromo-6-[[4-[4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]phenyl]sulfonylphenyl]iminomethyl]phenol
CID 4655751
2,4-dibromo-6-(ethyliminomethyl)phenol
CID 139079595
N-(aminomethyl)-4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]benzenesulfonamide
CID 142691931
4-[(2E)-2-[(5-bromo-2-hydroxy-3-iodophenyl)methylidene]hydrazinyl]benzenesulfonamide
CID 135614343
2,4-dibromo-6-(2-morpholin-4-ium-4-ylethyliminomethyl)phenol
CID 135595356
2,4-dibromo-6-[(E)-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenol
CID 135459439
2,4-dibromo-6-[[3-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2,2-dimethylpropyl]iminomethyl]phenol
CID 139083032
(E)-4-[2-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]ethylamino]pent-3-en-2-one
CID 177490098
5-bromo-2-[2-[(4-bromo-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
CID 3089504
3-hydroxy-4-[2-[(2-hydroxy-4-sulfophenyl)methylideneamino]ethyliminomethyl]benzenesulfonic acid
CID 135800105
2-methyl-N'-[2-(4-sulfamoylphenyl)ethyl]propanimidamide
CID 63178097
2,4-dibromo-6-[(4-piperidin-1-ylsulfonylphenyl)iminomethyl]phenol
CID 135778678

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]ethyl]benzenesulfonamide (CID 136934908) is 4-[2-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]ethyl]benzenesulfonamide is NS(=O)(=O)c1ccc(CC/N=C/c2cc(Br)cc(Br)c2O)cc1.
What is the InChIKey of 4-[2-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]ethyl]benzenesulfonamide?
The InChIKey is LYDVPSKXQJAOQK-DJKKODMXSA-N. The full InChI is InChI=1S/C15H14Br2N2O3S/c16-12-7-11(15(20)14(17)8-12)9-19-6-5-10-1-3-13(4-2-10)23(18,21)22/h1-4,7-9,20H,5-6H2,(H2,18,21,22)/b19-9+.
What are the key properties of 4-[2-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]ethyl]benzenesulfonamide?
4-[2-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]ethyl]benzenesulfonamide has a molecular weight of 462.16 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]ethyl]benzenesulfonamide is sourced from PubChem (CID 136934908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).