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

C13H11BrN2O3S — CID 1286568

IUPAC4-[(5-bromo-2-hydroxyphenyl)methylideneamino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(/N=C/c2cc(Br)ccc2O)cc1
InChIInChI=1S/C13H11BrN2O3S/c14-10-1-6-13(17)9(7-10)8-16-11-2-4-12(5-3-11)20(15,18)19/h1-8,17H,(H2,15,18,19)/b16-8+
InChIKeyYLZCXFNEZYMLLJ-LZYBPNLTSA-N
MW355.21 g/mol
LogP2.55
Rot. Bonds3

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

4-[(5-bromo-2-hydroxyphenyl)methylideneamino]benzenesulfonamide (PubChem CID 1286568) has the molecular formula C13H11BrN2O3S and a molecular weight of 355.21 g/mol. Its IUPAC name is 4-[(5-bromo-2-hydroxyphenyl)methylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name4-[(5-bromo-2-hydroxyphenyl)methylideneamino]benzenesulfonamide
PubChem CID1286568
Molecular FormulaC13H11BrN2O3S
Molecular Weight355.21 g/mol
Exact Mass353.97
IUPAC Name4-[(5-bromo-2-hydroxyphenyl)methylideneamino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(/N=C/c2cc(Br)ccc2O)cc1
InChIInChI=1S/C13H11BrN2O3S/c14-10-1-6-13(17)9(7-10)8-16-11-2-4-12(5-3-11)20(15,18)19/h1-8,17H,(H2,15,18,19)/b16-8+
InChIKeyYLZCXFNEZYMLLJ-LZYBPNLTSA-N
XLogP2.55
TPSA92.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.21
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromo-2-hydroxyphenyl)methylideneamino]benzenesulfonamide?
The IUPAC name of 4-[(5-bromo-2-hydroxyphenyl)methylideneamino]benzenesulfonamide (CID 1286568) is 4-[(5-bromo-2-hydroxyphenyl)methylideneamino]benzenesulfonamide.
What is the SMILES notation for 4-[(5-bromo-2-hydroxyphenyl)methylideneamino]benzenesulfonamide?
The canonical SMILES for 4-[(5-bromo-2-hydroxyphenyl)methylideneamino]benzenesulfonamide is NS(=O)(=O)c1ccc(/N=C/c2cc(Br)ccc2O)cc1.
What is the InChIKey of 4-[(5-bromo-2-hydroxyphenyl)methylideneamino]benzenesulfonamide?
The InChIKey is YLZCXFNEZYMLLJ-LZYBPNLTSA-N. The full InChI is InChI=1S/C13H11BrN2O3S/c14-10-1-6-13(17)9(7-10)8-16-11-2-4-12(5-3-11)20(15,18)19/h1-8,17H,(H2,15,18,19)/b16-8+.
What are the key properties of 4-[(5-bromo-2-hydroxyphenyl)methylideneamino]benzenesulfonamide?
4-[(5-bromo-2-hydroxyphenyl)methylideneamino]benzenesulfonamide has a molecular weight of 355.21 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromo-2-hydroxyphenyl)methylideneamino]benzenesulfonamide is sourced from PubChem (CID 1286568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).