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

C16H17NO5S — CID 134815265

IUPAC(4-methoxyphenyl)sulfonyl 2-(4-methoxyphenyl)ethanimidate
SMILES[H]/N=C(\Cc1ccc(OC)cc1)OS(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C16H17NO5S/c1-20-13-5-3-12(4-6-13)11-16(17)22-23(18,19)15-9-7-14(21-2)8-10-15/h3-10,17H,11H2,1-2H3/b17-16+
InChIKeyANHSPYXDBOKPKE-WUKNDPDISA-N
MW335.38 g/mol
LogP2.63
Rot. Bonds6

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

(4-methoxyphenyl)sulfonyl 2-(4-methoxyphenyl)ethanimidate (PubChem CID 134815265) has the molecular formula C16H17NO5S and a molecular weight of 335.38 g/mol. Its IUPAC name is (4-methoxyphenyl)sulfonyl 2-(4-methoxyphenyl)ethanimidate.

Molecular Properties

Compound Name(4-methoxyphenyl)sulfonyl 2-(4-methoxyphenyl)ethanimidate
PubChem CID134815265
Molecular FormulaC16H17NO5S
Molecular Weight335.38 g/mol
Exact Mass335.08
IUPAC Name(4-methoxyphenyl)sulfonyl 2-(4-methoxyphenyl)ethanimidate
SMILES[H]/N=C(\Cc1ccc(OC)cc1)OS(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C16H17NO5S/c1-20-13-5-3-12(4-6-13)11-16(17)22-23(18,19)15-9-7-14(21-2)8-10-15/h3-10,17H,11H2,1-2H3/b17-16+
InChIKeyANHSPYXDBOKPKE-WUKNDPDISA-N
XLogP2.63
TPSA85.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 52.63
H-Bond Donors ≤ 51
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'}

Analyze (4-methoxyphenyl)sulfonyl 2-(4-methoxyphenyl)ethanimidate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methoxy-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 868666
4-(2-(4-Methoxyphenyl)cyclopent-1-enyl)benzenesulfonamide
CID 10592466
4-Methoxy-N-(3-phenylpropyl)benzenesulfonamide
CID 1718316
{[3,4-dihydro-1(2H)-naphthalenylidenamino]oxy}(4-methoxyphenyl)dioxo-lambda~6~-sulfane
CID 9661673
Benzenesulfonamide, N-(3,3-bis(4-methoxyphenyl)-2-propenyl)-
CID 3087667
4-ethoxy-N-[(E)-1-(4-methoxyphenyl)propan-2-ylideneamino]benzenesulfonamide
CID 9655936
1-methoxy-4-[(E)-2-(4-methoxyphenyl)sulfonylethenyl]benzene
CID 76332692
4-methoxy-N-(N-(4-methoxyphenethyl)carbamimidoyl)benzenesulfonamide
CID 7197555
(4-Methoxyphenyl)sulfonyl 2-(4-fluorophenyl)ethanimidate
CID 134815527
N'-(1-(4-Methoxyphenyl)propylidene)-4-methylbenzenesulfonohydrazide
CID 5348286
2-(4-Methoxyphenyl)ethyl 4-methylbenzenesulfonate
CID 285384
4-methoxy-N-(4-phenylbutyl)benzenesulfonamide
CID 2166768

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)sulfonyl 2-(4-methoxyphenyl)ethanimidate?
The IUPAC name of (4-methoxyphenyl)sulfonyl 2-(4-methoxyphenyl)ethanimidate (CID 134815265) is (4-methoxyphenyl)sulfonyl 2-(4-methoxyphenyl)ethanimidate.
What is the SMILES notation for (4-methoxyphenyl)sulfonyl 2-(4-methoxyphenyl)ethanimidate?
The canonical SMILES for (4-methoxyphenyl)sulfonyl 2-(4-methoxyphenyl)ethanimidate is [H]/N=C(\Cc1ccc(OC)cc1)OS(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of (4-methoxyphenyl)sulfonyl 2-(4-methoxyphenyl)ethanimidate?
The InChIKey is ANHSPYXDBOKPKE-WUKNDPDISA-N. The full InChI is InChI=1S/C16H17NO5S/c1-20-13-5-3-12(4-6-13)11-16(17)22-23(18,19)15-9-7-14(21-2)8-10-15/h3-10,17H,11H2,1-2H3/b17-16+.
What are the key properties of (4-methoxyphenyl)sulfonyl 2-(4-methoxyphenyl)ethanimidate?
(4-methoxyphenyl)sulfonyl 2-(4-methoxyphenyl)ethanimidate has a molecular weight of 335.38 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)sulfonyl 2-(4-methoxyphenyl)ethanimidate is sourced from PubChem (CID 134815265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).