2-[(2-hydroxyphenyl)methylideneamino]-4-(trifluoromethylsulfonyl)phenol

C14H10F3NO4S — CID 708527

IUPAC2-[(2-hydroxyphenyl)methylideneamino]-4-(trifluoromethylsulfonyl)phenol
SMILESO=S(=O)(c1ccc(O)c(/N=C/c2ccccc2O)c1)C(F)(F)F
InChIInChI=1S/C14H10F3NO4S/c15-14(16,17)23(21,22)10-5-6-13(20)11(7-10)18-8-9-3-1-2-4-12(9)19/h1-8,19-20H/b18-8+
InChIKeyCXYLYJDYWJDZBW-QGMBQPNBSA-N
MW345.30 g/mol
LogP3.14
Rot. Bonds3

About 2-[(2-hydroxyphenyl)methylideneamino]-4-(trifluoromethylsulfonyl)phenol

2-[(2-hydroxyphenyl)methylideneamino]-4-(trifluoromethylsulfonyl)phenol (PubChem CID 708527) has the molecular formula C14H10F3NO4S and a molecular weight of 345.30 g/mol. Its IUPAC name is 2-[(2-hydroxyphenyl)methylideneamino]-4-(trifluoromethylsulfonyl)phenol.

Molecular Properties

Compound Name2-[(2-hydroxyphenyl)methylideneamino]-4-(trifluoromethylsulfonyl)phenol
PubChem CID708527
Molecular FormulaC14H10F3NO4S
Molecular Weight345.30 g/mol
Exact Mass345.03
IUPAC Name2-[(2-hydroxyphenyl)methylideneamino]-4-(trifluoromethylsulfonyl)phenol
SMILESO=S(=O)(c1ccc(O)c(/N=C/c2ccccc2O)c1)C(F)(F)F
InChIInChI=1S/C14H10F3NO4S/c15-14(16,17)23(21,22)10-5-6-13(20)11(7-10)18-8-9-3-1-2-4-12(9)19/h1-8,19-20H/b18-8+
InChIKeyCXYLYJDYWJDZBW-QGMBQPNBSA-N
XLogP3.14
TPSA86.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.30
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_phenol_A(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxyphenyl)methylideneamino]-4-(trifluoromethylsulfonyl)phenol?
The IUPAC name of 2-[(2-hydroxyphenyl)methylideneamino]-4-(trifluoromethylsulfonyl)phenol (CID 708527) is 2-[(2-hydroxyphenyl)methylideneamino]-4-(trifluoromethylsulfonyl)phenol.
What is the SMILES notation for 2-[(2-hydroxyphenyl)methylideneamino]-4-(trifluoromethylsulfonyl)phenol?
The canonical SMILES for 2-[(2-hydroxyphenyl)methylideneamino]-4-(trifluoromethylsulfonyl)phenol is O=S(=O)(c1ccc(O)c(/N=C/c2ccccc2O)c1)C(F)(F)F.
What is the InChIKey of 2-[(2-hydroxyphenyl)methylideneamino]-4-(trifluoromethylsulfonyl)phenol?
The InChIKey is CXYLYJDYWJDZBW-QGMBQPNBSA-N. The full InChI is InChI=1S/C14H10F3NO4S/c15-14(16,17)23(21,22)10-5-6-13(20)11(7-10)18-8-9-3-1-2-4-12(9)19/h1-8,19-20H/b18-8+.
What are the key properties of 2-[(2-hydroxyphenyl)methylideneamino]-4-(trifluoromethylsulfonyl)phenol?
2-[(2-hydroxyphenyl)methylideneamino]-4-(trifluoromethylsulfonyl)phenol has a molecular weight of 345.30 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxyphenyl)methylideneamino]-4-(trifluoromethylsulfonyl)phenol is sourced from PubChem (CID 708527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).