2-[(4-chlorophenyl)sulfonylamino]ethyl-[1-(3-methoxyanilino)ethylidene]-methylazanium

C18H23ClN3O3S+ — CID 3746411

IUPAC2-[(4-chlorophenyl)sulfonylamino]ethyl-[1-(3-methoxyanilino)ethylidene]-methylazanium
SMILESCOc1cccc(N/C(C)=[N+](\C)CCNS(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C18H22ClN3O3S/c1-14(21-16-5-4-6-17(13-16)25-3)22(2)12-11-20-26(23,24)18-9-7-15(19)8-10-18/h4-10,13,20H,11-12H2,1-3H3/p+1
InChIKeyURSYVFXHAXNGEX-UHFFFAOYSA-O
MW396.92 g/mol
LogP2.80
Rot. Bonds7

About 2-[(4-chlorophenyl)sulfonylamino]ethyl-[1-(3-methoxyanilino)ethylidene]-methylazanium

2-[(4-chlorophenyl)sulfonylamino]ethyl-[1-(3-methoxyanilino)ethylidene]-methylazanium (PubChem CID 3746411) has the molecular formula C18H23ClN3O3S+ and a molecular weight of 396.92 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonylamino]ethyl-[1-(3-methoxyanilino)ethylidene]-methylazanium.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonylamino]ethyl-[1-(3-methoxyanilino)ethylidene]-methylazanium
PubChem CID3746411
Molecular FormulaC18H23ClN3O3S+
Molecular Weight396.92 g/mol
Exact Mass396.11
IUPAC Name2-[(4-chlorophenyl)sulfonylamino]ethyl-[1-(3-methoxyanilino)ethylidene]-methylazanium
SMILESCOc1cccc(N/C(C)=[N+](\C)CCNS(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C18H22ClN3O3S/c1-14(21-16-5-4-6-17(13-16)25-3)22(2)12-11-20-26(23,24)18-9-7-15(19)8-10-18/h4-10,13,20H,11-12H2,1-3H3/p+1
InChIKeyURSYVFXHAXNGEX-UHFFFAOYSA-O
XLogP2.80
TPSA70.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.92
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 2-[(4-chlorophenyl)sulfonylamino]ethyl-[1-(3-methoxyanilino)ethylidene]-methylazanium 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-chloro-N-(3-methoxyphenyl)benzenesulfonamide
CID 819759
3-[(4-bromophenyl)sulfonylamino]-N-(3-methoxyphenyl)propanamide
CID 17192407
2-[(4-acetamidophenyl)sulfonylamino]-N-(3-methoxyphenyl)acetamide
CID 112998688
N-(3-methoxyphenyl)-4-(pentylsulfamoyl)benzamide
CID 109061401
[2-(3-methoxyanilino)-2-oxoethyl] (2S)-2-[(4-chlorophenyl)sulfonylamino]propanoate
CID 55927790
2-[(3,4-dimethylphenyl)sulfonylamino]-N-(3-methoxyphenyl)acetamide
CID 112998662
4-[3-(dimethylamino)propylsulfamoyl]-N-(3-methoxyphenyl)benzamide
CID 109060325
2-[(4-tert-butylphenyl)sulfonylamino]-N-(3-methoxyphenyl)acetamide
CID 112998694
N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-1-(4-methoxyphenyl)methanimine oxide
CID 11451493
3-(2-methoxyethylsulfamoyl)-N-(3-methoxyphenyl)benzamide
CID 55565688
2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(3-methoxyphenyl)acetamide
CID 1338919
4-chloro-N-[2-(2,4-dimethoxyphenyl)ethyl]benzenesulfonamide
CID 110601508

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonylamino]ethyl-[1-(3-methoxyanilino)ethylidene]-methylazanium?
The IUPAC name of 2-[(4-chlorophenyl)sulfonylamino]ethyl-[1-(3-methoxyanilino)ethylidene]-methylazanium (CID 3746411) is 2-[(4-chlorophenyl)sulfonylamino]ethyl-[1-(3-methoxyanilino)ethylidene]-methylazanium.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonylamino]ethyl-[1-(3-methoxyanilino)ethylidene]-methylazanium?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonylamino]ethyl-[1-(3-methoxyanilino)ethylidene]-methylazanium is COc1cccc(N/C(C)=[N+](\C)CCNS(=O)(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonylamino]ethyl-[1-(3-methoxyanilino)ethylidene]-methylazanium?
The InChIKey is URSYVFXHAXNGEX-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H22ClN3O3S/c1-14(21-16-5-4-6-17(13-16)25-3)22(2)12-11-20-26(23,24)18-9-7-15(19)8-10-18/h4-10,13,20H,11-12H2,1-3H3/p+1.
What are the key properties of 2-[(4-chlorophenyl)sulfonylamino]ethyl-[1-(3-methoxyanilino)ethylidene]-methylazanium?
2-[(4-chlorophenyl)sulfonylamino]ethyl-[1-(3-methoxyanilino)ethylidene]-methylazanium has a molecular weight of 396.92 g/mol, XLogP of 2.80, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonylamino]ethyl-[1-(3-methoxyanilino)ethylidene]-methylazanium is sourced from PubChem (CID 3746411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).