2-[2-(benzylsulfamoyl)ethyl]-1-[1-(2,4-dichlorophenyl)ethyl]guanidine

C18H22Cl2N4O2S — CID 111062441

IUPAC2-[2-(benzylsulfamoyl)ethyl]-1-[1-(2,4-dichlorophenyl)ethyl]guanidine
SMILESCC(N/C(N)=N/CCS(=O)(=O)NCc1ccccc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H22Cl2N4O2S/c1-13(16-8-7-15(19)11-17(16)20)24-18(21)22-9-10-27(25,26)23-12-14-5-3-2-4-6-14/h2-8,11,13,23H,9-10,12H2,1H3,(H3,21,22,24)
InChIKeyUUPDRYXFAVAFCM-UHFFFAOYSA-N
MW429.37 g/mol
LogP3.08
Rot. Bonds8

About 2-[2-(benzylsulfamoyl)ethyl]-1-[1-(2,4-dichlorophenyl)ethyl]guanidine

2-[2-(benzylsulfamoyl)ethyl]-1-[1-(2,4-dichlorophenyl)ethyl]guanidine (PubChem CID 111062441) has the molecular formula C18H22Cl2N4O2S and a molecular weight of 429.37 g/mol. Its IUPAC name is 2-[2-(benzylsulfamoyl)ethyl]-1-[1-(2,4-dichlorophenyl)ethyl]guanidine.

Molecular Properties

Compound Name2-[2-(benzylsulfamoyl)ethyl]-1-[1-(2,4-dichlorophenyl)ethyl]guanidine
PubChem CID111062441
Molecular FormulaC18H22Cl2N4O2S
Molecular Weight429.37 g/mol
Exact Mass428.08
IUPAC Name2-[2-(benzylsulfamoyl)ethyl]-1-[1-(2,4-dichlorophenyl)ethyl]guanidine
SMILESCC(N/C(N)=N/CCS(=O)(=O)NCc1ccccc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H22Cl2N4O2S/c1-13(16-8-7-15(19)11-17(16)20)24-18(21)22-9-10-27(25,26)23-12-14-5-3-2-4-6-14/h2-8,11,13,23H,9-10,12H2,1H3,(H3,21,22,24)
InChIKeyUUPDRYXFAVAFCM-UHFFFAOYSA-N
XLogP3.08
TPSA96.58 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.37
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[2-(benzylsulfamoyl)ethyl]-1-[1-(2,4-dichlorophenyl)ethyl]guanidine 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

2-[2-(cyclobutylmethylsulfamoyl)ethyl]-1-[1-(2,4-dichlorophenyl)ethyl]guanidine;hydroiodide
CID 111810063
2-(2-benzylsulfinylethyl)-1-[1-(2,4-dichlorophenyl)ethyl]guanidine;hydroiodide
CID 111807825
1-[1-(2,4-dichlorophenyl)ethyl]-2-(2-hydroxyethyl)guanidine;hydroiodide
CID 111023048
1-[1-(2,4-dichlorophenyl)ethyl]-2-[2-[methyl(propan-2-yl)amino]ethyl]guanidine
CID 111096623
1-[1-(2,4-dichlorophenyl)ethyl]-2-[[4-(methylsulfamoylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111037915
1-[1-(2,4-dichlorophenyl)ethyl]-2-(3-methylsulfanylpropyl)guanidine
CID 111800726
1-[1-(2,4-dichlorophenyl)ethyl]-2-[2-(4-methylsulfonylphenoxy)ethyl]guanidine
CID 111805006
tert-butyl 3-[[amino-[1-(2,4-dichlorophenyl)ethylamino]methylidene]amino]propanoate
CID 111804944
1-[1-(2,4-dichlorophenyl)ethyl]-2-[[1-(2-phenylethyl)imidazol-2-yl]methyl]guanidine
CID 111911528
3-[[amino-[1-(2,4-dichlorophenyl)ethylamino]methylidene]amino]-2,2-dimethylpropanamide
CID 111072627
1-[1-(2,4-dichlorophenyl)ethyl]-2-(thiophen-2-ylmethyl)guanidine
CID 111026517
1-[1-(2,4-dichlorophenyl)ethyl]-2-(furan-2-ylmethyl)guanidine
CID 111022400

Frequently Asked Questions

What is the IUPAC name of 2-[2-(benzylsulfamoyl)ethyl]-1-[1-(2,4-dichlorophenyl)ethyl]guanidine?
The IUPAC name of 2-[2-(benzylsulfamoyl)ethyl]-1-[1-(2,4-dichlorophenyl)ethyl]guanidine (CID 111062441) is 2-[2-(benzylsulfamoyl)ethyl]-1-[1-(2,4-dichlorophenyl)ethyl]guanidine.
What is the SMILES notation for 2-[2-(benzylsulfamoyl)ethyl]-1-[1-(2,4-dichlorophenyl)ethyl]guanidine?
The canonical SMILES for 2-[2-(benzylsulfamoyl)ethyl]-1-[1-(2,4-dichlorophenyl)ethyl]guanidine is CC(N/C(N)=N/CCS(=O)(=O)NCc1ccccc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[2-(benzylsulfamoyl)ethyl]-1-[1-(2,4-dichlorophenyl)ethyl]guanidine?
The InChIKey is UUPDRYXFAVAFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22Cl2N4O2S/c1-13(16-8-7-15(19)11-17(16)20)24-18(21)22-9-10-27(25,26)23-12-14-5-3-2-4-6-14/h2-8,11,13,23H,9-10,12H2,1H3,(H3,21,22,24).
What are the key properties of 2-[2-(benzylsulfamoyl)ethyl]-1-[1-(2,4-dichlorophenyl)ethyl]guanidine?
2-[2-(benzylsulfamoyl)ethyl]-1-[1-(2,4-dichlorophenyl)ethyl]guanidine has a molecular weight of 429.37 g/mol, XLogP of 3.08, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(benzylsulfamoyl)ethyl]-1-[1-(2,4-dichlorophenyl)ethyl]guanidine is sourced from PubChem (CID 111062441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).