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

C15H15BrN2O3S — CID 135595474

IUPAC4-[2-[(5-bromo-2-hydroxyphenyl)methylideneamino]ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CC/N=C/c2cc(Br)ccc2O)cc1
InChIInChI=1S/C15H15BrN2O3S/c16-13-3-6-15(19)12(9-13)10-18-8-7-11-1-4-14(5-2-11)22(17,20)21/h1-6,9-10,19H,7-8H2,(H2,17,20,21)/b18-10+
InChIKeyUIXYZXIYBNAAQC-VCHYOVAHSA-N
MW383.27 g/mol
LogP2.46
Rot. Bonds5

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

4-[2-[(5-bromo-2-hydroxyphenyl)methylideneamino]ethyl]benzenesulfonamide (PubChem CID 135595474) has the molecular formula C15H15BrN2O3S and a molecular weight of 383.27 g/mol. Its IUPAC name is 4-[2-[(5-bromo-2-hydroxyphenyl)methylideneamino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[(5-bromo-2-hydroxyphenyl)methylideneamino]ethyl]benzenesulfonamide
PubChem CID135595474
Molecular FormulaC15H15BrN2O3S
Molecular Weight383.27 g/mol
Exact Mass382.00
IUPAC Name4-[2-[(5-bromo-2-hydroxyphenyl)methylideneamino]ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CC/N=C/c2cc(Br)ccc2O)cc1
InChIInChI=1S/C15H15BrN2O3S/c16-13-3-6-15(19)12(9-13)10-18-8-7-11-1-4-14(5-2-11)22(17,20)21/h1-6,9-10,19H,7-8H2,(H2,17,20,21)/b18-10+
InChIKeyUIXYZXIYBNAAQC-VCHYOVAHSA-N
XLogP2.46
TPSA92.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.27
LogP ≤ 52.46
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-[2-[(5-bromo-2-hydroxyphenyl)methylideneamino]ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-[(5-bromo-2-hydroxyphenyl)methylideneamino]ethyl]benzenesulfonamide (CID 135595474) is 4-[2-[(5-bromo-2-hydroxyphenyl)methylideneamino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[(5-bromo-2-hydroxyphenyl)methylideneamino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-[(5-bromo-2-hydroxyphenyl)methylideneamino]ethyl]benzenesulfonamide is NS(=O)(=O)c1ccc(CC/N=C/c2cc(Br)ccc2O)cc1.
What is the InChIKey of 4-[2-[(5-bromo-2-hydroxyphenyl)methylideneamino]ethyl]benzenesulfonamide?
The InChIKey is UIXYZXIYBNAAQC-VCHYOVAHSA-N. The full InChI is InChI=1S/C15H15BrN2O3S/c16-13-3-6-15(19)12(9-13)10-18-8-7-11-1-4-14(5-2-11)22(17,20)21/h1-6,9-10,19H,7-8H2,(H2,17,20,21)/b18-10+.
What are the key properties of 4-[2-[(5-bromo-2-hydroxyphenyl)methylideneamino]ethyl]benzenesulfonamide?
4-[2-[(5-bromo-2-hydroxyphenyl)methylideneamino]ethyl]benzenesulfonamide has a molecular weight of 383.27 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(5-bromo-2-hydroxyphenyl)methylideneamino]ethyl]benzenesulfonamide is sourced from PubChem (CID 135595474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).