4-[[(2-hydroxy-5-methoxyphenyl)methylideneamino]methyl]benzenesulfonamide

C15H16N2O4S — CID 135595335

IUPAC4-[[(2-hydroxy-5-methoxyphenyl)methylideneamino]methyl]benzenesulfonamide
SMILESCOc1ccc(O)c(/C=N/Cc2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C15H16N2O4S/c1-21-13-4-7-15(18)12(8-13)10-17-9-11-2-5-14(6-3-11)22(16,19)20/h2-8,10,18H,9H2,1H3,(H2,16,19,20)/b17-10+
InChIKeyKQHYOFVUZWRGOU-LICLKQGHSA-N
MW320.37 g/mol
LogP1.67
Rot. Bonds5

About 4-[[(2-hydroxy-5-methoxyphenyl)methylideneamino]methyl]benzenesulfonamide

4-[[(2-hydroxy-5-methoxyphenyl)methylideneamino]methyl]benzenesulfonamide (PubChem CID 135595335) has the molecular formula C15H16N2O4S and a molecular weight of 320.37 g/mol. Its IUPAC name is 4-[[(2-hydroxy-5-methoxyphenyl)methylideneamino]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[[(2-hydroxy-5-methoxyphenyl)methylideneamino]methyl]benzenesulfonamide
PubChem CID135595335
Molecular FormulaC15H16N2O4S
Molecular Weight320.37 g/mol
Exact Mass320.08
IUPAC Name4-[[(2-hydroxy-5-methoxyphenyl)methylideneamino]methyl]benzenesulfonamide
SMILESCOc1ccc(O)c(/C=N/Cc2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C15H16N2O4S/c1-21-13-4-7-15(18)12(8-13)10-17-9-11-2-5-14(6-3-11)22(16,19)20/h2-8,10,18H,9H2,1H3,(H2,16,19,20)/b17-10+
InChIKeyKQHYOFVUZWRGOU-LICLKQGHSA-N
XLogP1.67
TPSA101.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[[(2-hydroxy-5-methoxyphenyl)methylideneamino]methyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-hydroxy-5-methoxyphenyl)methylideneamino]methyl]benzenesulfonamide?
The IUPAC name of 4-[[(2-hydroxy-5-methoxyphenyl)methylideneamino]methyl]benzenesulfonamide (CID 135595335) is 4-[[(2-hydroxy-5-methoxyphenyl)methylideneamino]methyl]benzenesulfonamide.
What is the SMILES notation for 4-[[(2-hydroxy-5-methoxyphenyl)methylideneamino]methyl]benzenesulfonamide?
The canonical SMILES for 4-[[(2-hydroxy-5-methoxyphenyl)methylideneamino]methyl]benzenesulfonamide is COc1ccc(O)c(/C=N/Cc2ccc(S(N)(=O)=O)cc2)c1.
What is the InChIKey of 4-[[(2-hydroxy-5-methoxyphenyl)methylideneamino]methyl]benzenesulfonamide?
The InChIKey is KQHYOFVUZWRGOU-LICLKQGHSA-N. The full InChI is InChI=1S/C15H16N2O4S/c1-21-13-4-7-15(18)12(8-13)10-17-9-11-2-5-14(6-3-11)22(16,19)20/h2-8,10,18H,9H2,1H3,(H2,16,19,20)/b17-10+.
What are the key properties of 4-[[(2-hydroxy-5-methoxyphenyl)methylideneamino]methyl]benzenesulfonamide?
4-[[(2-hydroxy-5-methoxyphenyl)methylideneamino]methyl]benzenesulfonamide has a molecular weight of 320.37 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-hydroxy-5-methoxyphenyl)methylideneamino]methyl]benzenesulfonamide is sourced from PubChem (CID 135595335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).