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

C15H16N2O3S — CID 2368995

IUPAC4-[2-[(2-hydroxyphenyl)methylideneamino]ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CC/N=C/c2ccccc2O)cc1
InChIInChI=1S/C15H16N2O3S/c16-21(19,20)14-7-5-12(6-8-14)9-10-17-11-13-3-1-2-4-15(13)18/h1-8,11,18H,9-10H2,(H2,16,19,20)/b17-11+
InChIKeyXYIRQCSVYOCEFY-GZTJUZNOSA-N
MW304.37 g/mol
LogP1.70
Rot. Bonds5

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

4-[2-[(2-hydroxyphenyl)methylideneamino]ethyl]benzenesulfonamide (PubChem CID 2368995) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is 4-[2-[(2-hydroxyphenyl)methylideneamino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[(2-hydroxyphenyl)methylideneamino]ethyl]benzenesulfonamide
PubChem CID2368995
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Name4-[2-[(2-hydroxyphenyl)methylideneamino]ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CC/N=C/c2ccccc2O)cc1
InChIInChI=1S/C15H16N2O3S/c16-21(19,20)14-7-5-12(6-8-14)9-10-17-11-13-3-1-2-4-15(13)18/h1-8,11,18H,9-10H2,(H2,16,19,20)/b17-11+
InChIKeyXYIRQCSVYOCEFY-GZTJUZNOSA-N
XLogP1.70
TPSA92.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 51.70
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-[(2-hydroxyphenyl)methylideneamino]ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-[(2-hydroxyphenyl)methylideneamino]ethyl]benzenesulfonamide (CID 2368995) is 4-[2-[(2-hydroxyphenyl)methylideneamino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[(2-hydroxyphenyl)methylideneamino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-[(2-hydroxyphenyl)methylideneamino]ethyl]benzenesulfonamide is NS(=O)(=O)c1ccc(CC/N=C/c2ccccc2O)cc1.
What is the InChIKey of 4-[2-[(2-hydroxyphenyl)methylideneamino]ethyl]benzenesulfonamide?
The InChIKey is XYIRQCSVYOCEFY-GZTJUZNOSA-N. The full InChI is InChI=1S/C15H16N2O3S/c16-21(19,20)14-7-5-12(6-8-14)9-10-17-11-13-3-1-2-4-15(13)18/h1-8,11,18H,9-10H2,(H2,16,19,20)/b17-11+.
What are the key properties of 4-[2-[(2-hydroxyphenyl)methylideneamino]ethyl]benzenesulfonamide?
4-[2-[(2-hydroxyphenyl)methylideneamino]ethyl]benzenesulfonamide has a molecular weight of 304.37 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2-hydroxyphenyl)methylideneamino]ethyl]benzenesulfonamide is sourced from PubChem (CID 2368995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).