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

C15H15NO5S — CID 134815313

IUPAC(4-methoxyphenyl)sulfonyl 2-(4-hydroxyphenyl)ethanimidate
SMILES[H]/N=C(\Cc1ccc(O)cc1)OS(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C15H15NO5S/c1-20-13-6-8-14(9-7-13)22(18,19)21-15(16)10-11-2-4-12(17)5-3-11/h2-9,16-17H,10H2,1H3/b16-15+
InChIKeyPKLZRVMBXBDIPH-FOCLMDBBSA-N
MW321.35 g/mol
LogP2.33
Rot. Bonds5

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

(4-methoxyphenyl)sulfonyl 2-(4-hydroxyphenyl)ethanimidate (PubChem CID 134815313) has the molecular formula C15H15NO5S and a molecular weight of 321.35 g/mol. Its IUPAC name is (4-methoxyphenyl)sulfonyl 2-(4-hydroxyphenyl)ethanimidate.

Molecular Properties

Compound Name(4-methoxyphenyl)sulfonyl 2-(4-hydroxyphenyl)ethanimidate
PubChem CID134815313
Molecular FormulaC15H15NO5S
Molecular Weight321.35 g/mol
Exact Mass321.07
IUPAC Name(4-methoxyphenyl)sulfonyl 2-(4-hydroxyphenyl)ethanimidate
SMILES[H]/N=C(\Cc1ccc(O)cc1)OS(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C15H15NO5S/c1-20-13-6-8-14(9-7-13)22(18,19)21-15(16)10-11-2-4-12(17)5-3-11/h2-9,16-17H,10H2,1H3/b16-15+
InChIKeyPKLZRVMBXBDIPH-FOCLMDBBSA-N
XLogP2.33
TPSA96.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.35
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

(4-Methoxyphenyl)sulfonyl 2-(4-fluorophenyl)ethanimidate
CID 134815527
N-[(E)-(2-hydroxyphenyl)methylideneamino]-4-methoxybenzenesulfonamide
CID 137100868
N-[(E)-[(4-hydroxyphenyl)-phenylmethylidene]amino]-4-methoxybenzenesulfonamide
CID 155567314
(4-Methoxyphenyl)sulfonyl 2-(4-methoxyphenyl)ethanimidate
CID 134815265
p-Tolylsulfonyl 2-(4-methoxyphenyl)ethanimidate
CID 134815266
p-Tolylsulfonyl 2-(4-hydroxyphenyl)ethanimidate
CID 134815314
(4-Methoxyphenyl)sulfonyl 2-(4-chlorophenyl)ethanimidate
CID 134815365
(NE)-4-methoxy-N-[(4-methoxyphenyl)methylidene]benzenesulfonamide
CID 9555326
N-[3-(4-hydroxyphenyl)propyl]-4-methoxybenzenesulfonamide
CID 110423600
(NE)-N-[1-(4-methoxyphenyl)ethylidene]benzenesulfonamide
CID 134999077
(NZ)-4-methoxy-N-[(4-methoxyphenyl)methylidene]benzenesulfonamide
CID 5991131
4-methoxy-N-[(4-methoxyphenyl)methylidene]benzenesulfonamide
CID 326164

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)sulfonyl 2-(4-hydroxyphenyl)ethanimidate?
The IUPAC name of (4-methoxyphenyl)sulfonyl 2-(4-hydroxyphenyl)ethanimidate (CID 134815313) is (4-methoxyphenyl)sulfonyl 2-(4-hydroxyphenyl)ethanimidate.
What is the SMILES notation for (4-methoxyphenyl)sulfonyl 2-(4-hydroxyphenyl)ethanimidate?
The canonical SMILES for (4-methoxyphenyl)sulfonyl 2-(4-hydroxyphenyl)ethanimidate is [H]/N=C(\Cc1ccc(O)cc1)OS(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of (4-methoxyphenyl)sulfonyl 2-(4-hydroxyphenyl)ethanimidate?
The InChIKey is PKLZRVMBXBDIPH-FOCLMDBBSA-N. The full InChI is InChI=1S/C15H15NO5S/c1-20-13-6-8-14(9-7-13)22(18,19)21-15(16)10-11-2-4-12(17)5-3-11/h2-9,16-17H,10H2,1H3/b16-15+.
What are the key properties of (4-methoxyphenyl)sulfonyl 2-(4-hydroxyphenyl)ethanimidate?
(4-methoxyphenyl)sulfonyl 2-(4-hydroxyphenyl)ethanimidate has a molecular weight of 321.35 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)sulfonyl 2-(4-hydroxyphenyl)ethanimidate is sourced from PubChem (CID 134815313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).