(4-methoxyphenyl)sulfonyl 2-(3,5-dichlorophenyl)ethanimidate

C15H13Cl2NO4S — CID 134815303

IUPAC(4-methoxyphenyl)sulfonyl 2-(3,5-dichlorophenyl)ethanimidate
SMILES[H]/N=C(\Cc1cc(Cl)cc(Cl)c1)OS(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C15H13Cl2NO4S/c1-21-13-2-4-14(5-3-13)23(19,20)22-15(18)8-10-6-11(16)9-12(17)7-10/h2-7,9,18H,8H2,1H3/b18-15+
InChIKeyQKAMJWMAZWPIIW-OBGWFSINSA-N
MW374.25 g/mol
LogP3.93
Rot. Bonds5

About (4-methoxyphenyl)sulfonyl 2-(3,5-dichlorophenyl)ethanimidate

(4-methoxyphenyl)sulfonyl 2-(3,5-dichlorophenyl)ethanimidate (PubChem CID 134815303) has the molecular formula C15H13Cl2NO4S and a molecular weight of 374.25 g/mol. Its IUPAC name is (4-methoxyphenyl)sulfonyl 2-(3,5-dichlorophenyl)ethanimidate.

Molecular Properties

Compound Name(4-methoxyphenyl)sulfonyl 2-(3,5-dichlorophenyl)ethanimidate
PubChem CID134815303
Molecular FormulaC15H13Cl2NO4S
Molecular Weight374.25 g/mol
Exact Mass372.99
IUPAC Name(4-methoxyphenyl)sulfonyl 2-(3,5-dichlorophenyl)ethanimidate
SMILES[H]/N=C(\Cc1cc(Cl)cc(Cl)c1)OS(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C15H13Cl2NO4S/c1-21-13-2-4-14(5-3-13)23(19,20)22-15(18)8-10-6-11(16)9-12(17)7-10/h2-7,9,18H,8H2,1H3/b18-15+
InChIKeyQKAMJWMAZWPIIW-OBGWFSINSA-N
XLogP3.93
TPSA76.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.25
LogP ≤ 53.93
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
(4-Methoxyphenyl)sulfonyl 2-(4-fluorophenyl)ethanimidate
CID 134815527
N-[2-(3-chlorophenyl)ethyl]-4-methoxybenzenesulfonamide
CID 3820728
(4-Methoxyphenyl)sulfonyl 2-(4-methoxyphenyl)ethanimidate
CID 134815265
(4-Methoxyphenyl)sulfonyl 2-(4-chlorophenyl)ethanimidate
CID 134815365
(NE)-N-[(2,6-dichlorophenyl)methylidene]-4-methoxybenzenesulfonamide
CID 135079024
N-[1-(4-chlorophenyl)ethylideneamino]-4-methoxybenzenesulfonamide
CID 726961
N'-[(1E)-1-(4-chlorophenyl)ethylidene]-4-methoxybenzenesulfonohydrazide
CID 5720815
4-[(3,5-Dichlorophenyl)methoxy]benzenesulfinate
CID 69903571
N-[(2,6-dichlorophenyl)methylideneamino]-4-methoxybenzenesulfonamide
CID 154162362
2,6-Dichlorophenyl 4-methoxy-3-methylbenzenesulfonate
CID 2191919
N-[(3,5-dichlorophenyl)methyl]-4-methoxybenzenesulfonamide
CID 3828225

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)sulfonyl 2-(3,5-dichlorophenyl)ethanimidate?
The IUPAC name of (4-methoxyphenyl)sulfonyl 2-(3,5-dichlorophenyl)ethanimidate (CID 134815303) is (4-methoxyphenyl)sulfonyl 2-(3,5-dichlorophenyl)ethanimidate.
What is the SMILES notation for (4-methoxyphenyl)sulfonyl 2-(3,5-dichlorophenyl)ethanimidate?
The canonical SMILES for (4-methoxyphenyl)sulfonyl 2-(3,5-dichlorophenyl)ethanimidate is [H]/N=C(\Cc1cc(Cl)cc(Cl)c1)OS(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of (4-methoxyphenyl)sulfonyl 2-(3,5-dichlorophenyl)ethanimidate?
The InChIKey is QKAMJWMAZWPIIW-OBGWFSINSA-N. The full InChI is InChI=1S/C15H13Cl2NO4S/c1-21-13-2-4-14(5-3-13)23(19,20)22-15(18)8-10-6-11(16)9-12(17)7-10/h2-7,9,18H,8H2,1H3/b18-15+.
What are the key properties of (4-methoxyphenyl)sulfonyl 2-(3,5-dichlorophenyl)ethanimidate?
(4-methoxyphenyl)sulfonyl 2-(3,5-dichlorophenyl)ethanimidate has a molecular weight of 374.25 g/mol, XLogP of 3.93, 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-(3,5-dichlorophenyl)ethanimidate is sourced from PubChem (CID 134815303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).