3-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]-N-(2-fluorophenyl)benzenesulfonamide

C21H19FN2O4S — CID 135757734

IUPAC3-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]-N-(2-fluorophenyl)benzenesulfonamide
SMILESCCOc1cccc(/C=N/c2cccc(S(=O)(=O)Nc3ccccc3F)c2)c1O
InChIInChI=1S/C21H19FN2O4S/c1-2-28-20-12-5-7-15(21(20)25)14-23-16-8-6-9-17(13-16)29(26,27)24-19-11-4-3-10-18(19)22/h3-14,24-25H,2H2,1H3/b23-14+
InChIKeyYYZXICHZSFWGEQ-OEAKJJBVSA-N
MW414.46 g/mol
LogP4.48
Rot. Bonds7

About 3-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]-N-(2-fluorophenyl)benzenesulfonamide

3-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]-N-(2-fluorophenyl)benzenesulfonamide (PubChem CID 135757734) has the molecular formula C21H19FN2O4S and a molecular weight of 414.46 g/mol. Its IUPAC name is 3-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]-N-(2-fluorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]-N-(2-fluorophenyl)benzenesulfonamide
PubChem CID135757734
Molecular FormulaC21H19FN2O4S
Molecular Weight414.46 g/mol
Exact Mass414.10
IUPAC Name3-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]-N-(2-fluorophenyl)benzenesulfonamide
SMILESCCOc1cccc(/C=N/c2cccc(S(=O)(=O)Nc3ccccc3F)c2)c1O
InChIInChI=1S/C21H19FN2O4S/c1-2-28-20-12-5-7-15(21(20)25)14-23-16-8-6-9-17(13-16)29(26,27)24-19-11-4-3-10-18(19)22/h3-14,24-25H,2H2,1H3/b23-14+
InChIKeyYYZXICHZSFWGEQ-OEAKJJBVSA-N
XLogP4.48
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 54.48
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 3-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]-N-(2-fluorophenyl)benzenesulfonamide?
The IUPAC name of 3-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]-N-(2-fluorophenyl)benzenesulfonamide (CID 135757734) is 3-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]-N-(2-fluorophenyl)benzenesulfonamide.
What is the SMILES notation for 3-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]-N-(2-fluorophenyl)benzenesulfonamide?
The canonical SMILES for 3-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]-N-(2-fluorophenyl)benzenesulfonamide is CCOc1cccc(/C=N/c2cccc(S(=O)(=O)Nc3ccccc3F)c2)c1O.
What is the InChIKey of 3-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]-N-(2-fluorophenyl)benzenesulfonamide?
The InChIKey is YYZXICHZSFWGEQ-OEAKJJBVSA-N. The full InChI is InChI=1S/C21H19FN2O4S/c1-2-28-20-12-5-7-15(21(20)25)14-23-16-8-6-9-17(13-16)29(26,27)24-19-11-4-3-10-18(19)22/h3-14,24-25H,2H2,1H3/b23-14+.
What are the key properties of 3-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]-N-(2-fluorophenyl)benzenesulfonamide?
3-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]-N-(2-fluorophenyl)benzenesulfonamide has a molecular weight of 414.46 g/mol, XLogP of 4.48, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]-N-(2-fluorophenyl)benzenesulfonamide is sourced from PubChem (CID 135757734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).