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

C15H14ClNO4S — CID 134815365

IUPAC(4-methoxyphenyl)sulfonyl 2-(4-chlorophenyl)ethanimidate
SMILES[H]/N=C(\Cc1ccc(Cl)cc1)OS(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C15H14ClNO4S/c1-20-13-6-8-14(9-7-13)22(18,19)21-15(17)10-11-2-4-12(16)5-3-11/h2-9,17H,10H2,1H3/b17-15+
InChIKeyKYAZNKGVNHFDCZ-BMRADRMJSA-N
MW339.80 g/mol
LogP3.27
Rot. Bonds5

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

(4-methoxyphenyl)sulfonyl 2-(4-chlorophenyl)ethanimidate (PubChem CID 134815365) has the molecular formula C15H14ClNO4S and a molecular weight of 339.80 g/mol. Its IUPAC name is (4-methoxyphenyl)sulfonyl 2-(4-chlorophenyl)ethanimidate.

Molecular Properties

Compound Name(4-methoxyphenyl)sulfonyl 2-(4-chlorophenyl)ethanimidate
PubChem CID134815365
Molecular FormulaC15H14ClNO4S
Molecular Weight339.80 g/mol
Exact Mass339.03
IUPAC Name(4-methoxyphenyl)sulfonyl 2-(4-chlorophenyl)ethanimidate
SMILES[H]/N=C(\Cc1ccc(Cl)cc1)OS(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C15H14ClNO4S/c1-20-13-6-8-14(9-7-13)22(18,19)21-15(17)10-11-2-4-12(16)5-3-11/h2-9,17H,10H2,1H3/b17-15+
InChIKeyKYAZNKGVNHFDCZ-BMRADRMJSA-N
XLogP3.27
TPSA76.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.80
LogP ≤ 53.27
H-Bond Donors ≤ 51
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'-[1-(4-chlorophenyl)ethylidene]-4-methoxybenzenesulfonohydrazide
CID 5332734
(E)-[1-(4-chlorophenyl)-2-(4-methoxybenzenesulfonyl)ethylidene](methoxy)amine
CID 9560022
1-chloro-4-[(E)-2-(4-methoxyphenyl)sulfonylethenyl]benzene
CID 72188760
(4-Methoxyphenyl)sulfonyl 2-(4-fluorophenyl)ethanimidate
CID 134815527
(4-Methoxyphenyl)sulfonyl 2-(4-methoxyphenyl)ethanimidate
CID 134815265
p-Tolylsulfonyl 2-(4-methoxyphenyl)ethanimidate
CID 134815266
(4-Methoxyphenyl)sulfonyl 2-(3,5-dichlorophenyl)ethanimidate
CID 134815303
(4-Methoxyphenyl)sulfonyl 2-(4-hydroxyphenyl)ethanimidate
CID 134815313
N-[2-(4-chlorophenyl)ethenyl]-N-fluoro-4-methoxybenzenesulfonamide
CID 173031210
(NZ)-N-[(E)-1-(4-chlorophenyl)-3-phenylprop-2-enylidene]-4-methoxybenzenesulfonamide
CID 24796613
(NE)-N-[(4-chlorophenyl)methylidene]-4-methoxybenzenesulfonamide
CID 53375428
N-[(2e)-3-(4-chlorophenyl)prop-2-en-1-yl]-4-methoxy-N-methylbenzenesulfonamide
CID 134817954

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)sulfonyl 2-(4-chlorophenyl)ethanimidate?
The IUPAC name of (4-methoxyphenyl)sulfonyl 2-(4-chlorophenyl)ethanimidate (CID 134815365) is (4-methoxyphenyl)sulfonyl 2-(4-chlorophenyl)ethanimidate.
What is the SMILES notation for (4-methoxyphenyl)sulfonyl 2-(4-chlorophenyl)ethanimidate?
The canonical SMILES for (4-methoxyphenyl)sulfonyl 2-(4-chlorophenyl)ethanimidate is [H]/N=C(\Cc1ccc(Cl)cc1)OS(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of (4-methoxyphenyl)sulfonyl 2-(4-chlorophenyl)ethanimidate?
The InChIKey is KYAZNKGVNHFDCZ-BMRADRMJSA-N. The full InChI is InChI=1S/C15H14ClNO4S/c1-20-13-6-8-14(9-7-13)22(18,19)21-15(17)10-11-2-4-12(16)5-3-11/h2-9,17H,10H2,1H3/b17-15+.
What are the key properties of (4-methoxyphenyl)sulfonyl 2-(4-chlorophenyl)ethanimidate?
(4-methoxyphenyl)sulfonyl 2-(4-chlorophenyl)ethanimidate has a molecular weight of 339.80 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)sulfonyl 2-(4-chlorophenyl)ethanimidate is sourced from PubChem (CID 134815365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).