4-[(5-bromo-2-hydroxyphenyl)methylamino]benzenesulfonamide

C13H13BrN2O3S — CID 51047320

IUPAC4-[(5-bromo-2-hydroxyphenyl)methylamino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NCc2cc(Br)ccc2O)cc1
InChIInChI=1S/C13H13BrN2O3S/c14-10-1-6-13(17)9(7-10)8-16-11-2-4-12(5-3-11)20(15,18)19/h1-7,16-17H,8H2,(H2,15,18,19)
InChIKeyWYGRGDRZBZTNBB-UHFFFAOYSA-N
MW357.23 g/mol
LogP2.41
Rot. Bonds4

About 4-[(5-bromo-2-hydroxyphenyl)methylamino]benzenesulfonamide

4-[(5-bromo-2-hydroxyphenyl)methylamino]benzenesulfonamide (PubChem CID 51047320) has the molecular formula C13H13BrN2O3S and a molecular weight of 357.23 g/mol. Its IUPAC name is 4-[(5-bromo-2-hydroxyphenyl)methylamino]benzenesulfonamide.

Molecular Properties

Compound Name4-[(5-bromo-2-hydroxyphenyl)methylamino]benzenesulfonamide
PubChem CID51047320
Molecular FormulaC13H13BrN2O3S
Molecular Weight357.23 g/mol
Exact Mass355.98
IUPAC Name4-[(5-bromo-2-hydroxyphenyl)methylamino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NCc2cc(Br)ccc2O)cc1
InChIInChI=1S/C13H13BrN2O3S/c14-10-1-6-13(17)9(7-10)8-16-11-2-4-12(5-3-11)20(15,18)19/h1-7,16-17H,8H2,(H2,15,18,19)
InChIKeyWYGRGDRZBZTNBB-UHFFFAOYSA-N
XLogP2.41
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.23
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

4-[(5-Bromo-2-hydroxybenzylidene)amino]benzenesulfonamide
CID 1286568
4-[(2-Hydroxyphenyl)methylamino]benzenesulfonamide
CID 2755728
4-[(4-Hydroxyphenyl)methylamino]benzenesulfonamide
CID 28452155
N-(2-bromophenyl)-4-hydroxy-3-methyl-N-propylbenzenesulfonamide
CID 44407661
4-Amino-N-(4-bromo-2-fluorobenzyl)-N-(3,5-difluoro-4-hydroxyphenyl)benzenesulfonamide
CID 49837381
4-[(3-Bromo-2-hydroxyphenyl)methylamino]benzenesulfonamide
CID 61390149
4-[(2-Hydroxy-3-methylphenyl)methylamino]benzenesulfonamide
CID 115950959
4-[2-[(5-Bromo-2-hydroxyphenyl)methylamino]ethyl]benzenesulfonamide
CID 118736326
4-[(3,5-Dibromo-2-hydroxyphenyl)methylamino]benzenesulfonamide
CID 127027097
4-[(4-bromo-2-hydroxyphenyl)methylamino]-N-(4-phenylphenyl)benzenesulfonamide
CID 70701361
4-[(4-bromo-2-hydroxyphenyl)methylamino]-N-phenylbenzenesulfonamide
CID 70701430
4-[(5-Bromo-2-methoxybenzyl)amino]benzenesulfonamide
CID 1017676

Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromo-2-hydroxyphenyl)methylamino]benzenesulfonamide?
The IUPAC name of 4-[(5-bromo-2-hydroxyphenyl)methylamino]benzenesulfonamide (CID 51047320) is 4-[(5-bromo-2-hydroxyphenyl)methylamino]benzenesulfonamide.
What is the SMILES notation for 4-[(5-bromo-2-hydroxyphenyl)methylamino]benzenesulfonamide?
The canonical SMILES for 4-[(5-bromo-2-hydroxyphenyl)methylamino]benzenesulfonamide is NS(=O)(=O)c1ccc(NCc2cc(Br)ccc2O)cc1.
What is the InChIKey of 4-[(5-bromo-2-hydroxyphenyl)methylamino]benzenesulfonamide?
The InChIKey is WYGRGDRZBZTNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O3S/c14-10-1-6-13(17)9(7-10)8-16-11-2-4-12(5-3-11)20(15,18)19/h1-7,16-17H,8H2,(H2,15,18,19).
What are the key properties of 4-[(5-bromo-2-hydroxyphenyl)methylamino]benzenesulfonamide?
4-[(5-bromo-2-hydroxyphenyl)methylamino]benzenesulfonamide has a molecular weight of 357.23 g/mol, XLogP of 2.41, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromo-2-hydroxyphenyl)methylamino]benzenesulfonamide is sourced from PubChem (CID 51047320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).