(4-methylphenyl)sulfonyl 2-(4-hydroxyphenyl)ethanimidate

C15H15NO4S — CID 134815314

IUPAC(4-methylphenyl)sulfonyl 2-(4-hydroxyphenyl)ethanimidate
SMILES[H]/N=C(\Cc1ccc(O)cc1)OS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C15H15NO4S/c1-11-2-8-14(9-3-11)21(18,19)20-15(16)10-12-4-6-13(17)7-5-12/h2-9,16-17H,10H2,1H3/b16-15+
InChIKeyQZPNJGMFYAYQOE-FOCLMDBBSA-N
MW305.36 g/mol
LogP2.63
Rot. Bonds4

About (4-methylphenyl)sulfonyl 2-(4-hydroxyphenyl)ethanimidate

(4-methylphenyl)sulfonyl 2-(4-hydroxyphenyl)ethanimidate (PubChem CID 134815314) has the molecular formula C15H15NO4S and a molecular weight of 305.36 g/mol. Its IUPAC name is (4-methylphenyl)sulfonyl 2-(4-hydroxyphenyl)ethanimidate.

Molecular Properties

Compound Name(4-methylphenyl)sulfonyl 2-(4-hydroxyphenyl)ethanimidate
PubChem CID134815314
Molecular FormulaC15H15NO4S
Molecular Weight305.36 g/mol
Exact Mass305.07
IUPAC Name(4-methylphenyl)sulfonyl 2-(4-hydroxyphenyl)ethanimidate
SMILES[H]/N=C(\Cc1ccc(O)cc1)OS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C15H15NO4S/c1-11-2-8-14(9-3-11)21(18,19)20-15(16)10-12-4-6-13(17)7-5-12/h2-9,16-17H,10H2,1H3/b16-15+
InChIKeyQZPNJGMFYAYQOE-FOCLMDBBSA-N
XLogP2.63
TPSA87.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

N'-(4-Hydroxybenzylidene)-4-methylbenzenesulfonohydrazide
CID 135442606
4-[2-(4-Hydroxy-phenyl)-vinyl]-benzenesulfonamide
CID 5472594
N-tosylsalicylaldehyde imine
CID 768968
N-[(2-hydroxyphenyl)methylidene]-4-methylbenzenesulfonamide
CID 135431823
4-(Cyanomethyl)phenyl 4-methylbenzene-1-sulfonate
CID 2774659
4-Hydroxyphenyl 4-methyl-1-benzenesulfonate
CID 11043641
p-Tolylsulfonyl 2-(4-methoxyphenyl)ethanimidate
CID 134815266
(4-Methoxyphenyl)sulfonyl 2-(4-hydroxyphenyl)ethanimidate
CID 134815313
N-tosyl-tyramine
CID 10424386
2-(2-Hydroxyphenyl)ethyl 4-methylbenzenesulfonate
CID 12158288
N'-[(4-Hydroxyphenyl)methylidene]-4-methylbenzene-1-sulfonohydrazide
CID 307880
[(Z)-[2,2,2-trifluoro-1-(4-hydroxyphenyl)ethylidene]amino] 4-methylbenzenesulfonate
CID 136592333

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)sulfonyl 2-(4-hydroxyphenyl)ethanimidate?
The IUPAC name of (4-methylphenyl)sulfonyl 2-(4-hydroxyphenyl)ethanimidate (CID 134815314) is (4-methylphenyl)sulfonyl 2-(4-hydroxyphenyl)ethanimidate.
What is the SMILES notation for (4-methylphenyl)sulfonyl 2-(4-hydroxyphenyl)ethanimidate?
The canonical SMILES for (4-methylphenyl)sulfonyl 2-(4-hydroxyphenyl)ethanimidate is [H]/N=C(\Cc1ccc(O)cc1)OS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of (4-methylphenyl)sulfonyl 2-(4-hydroxyphenyl)ethanimidate?
The InChIKey is QZPNJGMFYAYQOE-FOCLMDBBSA-N. The full InChI is InChI=1S/C15H15NO4S/c1-11-2-8-14(9-3-11)21(18,19)20-15(16)10-12-4-6-13(17)7-5-12/h2-9,16-17H,10H2,1H3/b16-15+.
What are the key properties of (4-methylphenyl)sulfonyl 2-(4-hydroxyphenyl)ethanimidate?
(4-methylphenyl)sulfonyl 2-(4-hydroxyphenyl)ethanimidate has a molecular weight of 305.36 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)sulfonyl 2-(4-hydroxyphenyl)ethanimidate is sourced from PubChem (CID 134815314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).