4-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzenesulfonamide

C15H16N2O4S — CID 724576

IUPAC4-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzenesulfonamide
SMILESCCOc1cc(/C=N/c2ccc(S(N)(=O)=O)cc2)ccc1O
InChIInChI=1S/C15H16N2O4S/c1-2-21-15-9-11(3-8-14(15)18)10-17-12-4-6-13(7-5-12)22(16,19)20/h3-10,18H,2H2,1H3,(H2,16,19,20)/b17-10+
InChIKeyQUVNXCFAMZQWJV-LICLKQGHSA-N
MW320.37 g/mol
LogP2.19
Rot. Bonds5

About 4-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzenesulfonamide

4-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzenesulfonamide (PubChem CID 724576) has the molecular formula C15H16N2O4S and a molecular weight of 320.37 g/mol. Its IUPAC name is 4-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name4-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzenesulfonamide
PubChem CID724576
Molecular FormulaC15H16N2O4S
Molecular Weight320.37 g/mol
Exact Mass320.08
IUPAC Name4-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzenesulfonamide
SMILESCCOc1cc(/C=N/c2ccc(S(N)(=O)=O)cc2)ccc1O
InChIInChI=1S/C15H16N2O4S/c1-2-21-15-9-11(3-8-14(15)18)10-17-12-4-6-13(7-5-12)22(16,19)20/h3-10,18H,2H2,1H3,(H2,16,19,20)/b17-10+
InChIKeyQUVNXCFAMZQWJV-LICLKQGHSA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzenesulfonamide?
The IUPAC name of 4-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzenesulfonamide (CID 724576) is 4-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzenesulfonamide.
What is the SMILES notation for 4-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzenesulfonamide?
The canonical SMILES for 4-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzenesulfonamide is CCOc1cc(/C=N/c2ccc(S(N)(=O)=O)cc2)ccc1O.
What is the InChIKey of 4-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzenesulfonamide?
The InChIKey is QUVNXCFAMZQWJV-LICLKQGHSA-N. The full InChI is InChI=1S/C15H16N2O4S/c1-2-21-15-9-11(3-8-14(15)18)10-17-12-4-6-13(7-5-12)22(16,19)20/h3-10,18H,2H2,1H3,(H2,16,19,20)/b17-10+.
What are the key properties of 4-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzenesulfonamide?
4-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzenesulfonamide has a molecular weight of 320.37 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzenesulfonamide is sourced from PubChem (CID 724576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).