1-[(2,4-dichlorophenyl)methyl]-3-[[4-(diethylsulfamoyl)phenyl]methyl]urea

C19H23Cl2N3O3S — CID 55473112

IUPAC1-[(2,4-dichlorophenyl)methyl]-3-[[4-(diethylsulfamoyl)phenyl]methyl]urea
SMILESCCN(CC)S(=O)(=O)c1ccc(CNC(=O)NCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C19H23Cl2N3O3S/c1-3-24(4-2)28(26,27)17-9-5-14(6-10-17)12-22-19(25)23-13-15-7-8-16(20)11-18(15)21/h5-11H,3-4,12-13H2,1-2H3,(H2,22,23,25)
InChIKeyPNWWKWMJAMZVES-UHFFFAOYSA-N
MW444.38 g/mol
LogP4.02
Rot. Bonds8

About 1-[(2,4-dichlorophenyl)methyl]-3-[[4-(diethylsulfamoyl)phenyl]methyl]urea

1-[(2,4-dichlorophenyl)methyl]-3-[[4-(diethylsulfamoyl)phenyl]methyl]urea (PubChem CID 55473112) has the molecular formula C19H23Cl2N3O3S and a molecular weight of 444.38 g/mol. Its IUPAC name is 1-[(2,4-dichlorophenyl)methyl]-3-[[4-(diethylsulfamoyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-[(2,4-dichlorophenyl)methyl]-3-[[4-(diethylsulfamoyl)phenyl]methyl]urea
PubChem CID55473112
Molecular FormulaC19H23Cl2N3O3S
Molecular Weight444.38 g/mol
Exact Mass443.08
IUPAC Name1-[(2,4-dichlorophenyl)methyl]-3-[[4-(diethylsulfamoyl)phenyl]methyl]urea
SMILESCCN(CC)S(=O)(=O)c1ccc(CNC(=O)NCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C19H23Cl2N3O3S/c1-3-24(4-2)28(26,27)17-9-5-14(6-10-17)12-22-19(25)23-13-15-7-8-16(20)11-18(15)21/h5-11H,3-4,12-13H2,1-2H3,(H2,22,23,25)
InChIKeyPNWWKWMJAMZVES-UHFFFAOYSA-N
XLogP4.02
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.38
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(2,4-dichlorophenyl)methyl]-3-[[4-(diethylsulfamoyl)phenyl]methyl]urea 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-[(4-chlorophenyl)sulfonyl-ethylamino]-N-[(2,4-dichlorophenyl)methyl]acetamide
CID 3894856
2-[(4-bromophenyl)sulfonyl-ethylamino]-N-[(2,4-dichlorophenyl)methyl]acetamide
CID 45371878
1-benzyl-3-[[4-(diethylsulfamoyl)phenyl]methyl]urea
CID 41249851
1-[[4-(diethylsulfamoyl)phenyl]methyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 38168942
2-[(4-chlorophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-[(2,4-dichlorophenyl)methyl]acetamide
CID 126081065
2-[(4-bromophenyl)sulfonyl-[(4-chlorophenyl)methyl]amino]-N-[(2,4-dichlorophenyl)methyl]acetamide
CID 126085155
N-[(2-chlorophenyl)methyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 26244985
N-[(2,4-dichlorophenyl)methyl]-2-[(4-methylphenyl)methylcarbamoylamino]acetamide
CID 26018842
4-[[(4-chlorophenyl)sulfonylamino]methyl]-N,N-diethylbenzenesulfonamide
CID 8815309
1-[[4-(diethylsulfamoyl)phenyl]methyl]-3-[(3-methylthiophen-2-yl)methyl]urea
CID 33421340
N-[[4-(diethylsulfamoyl)phenyl]methyl]-2,5-difluorobenzamide
CID 26423277
2-[benzenesulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 43874460

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-3-[[4-(diethylsulfamoyl)phenyl]methyl]urea?
The IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-3-[[4-(diethylsulfamoyl)phenyl]methyl]urea (CID 55473112) is 1-[(2,4-dichlorophenyl)methyl]-3-[[4-(diethylsulfamoyl)phenyl]methyl]urea.
What is the SMILES notation for 1-[(2,4-dichlorophenyl)methyl]-3-[[4-(diethylsulfamoyl)phenyl]methyl]urea?
The canonical SMILES for 1-[(2,4-dichlorophenyl)methyl]-3-[[4-(diethylsulfamoyl)phenyl]methyl]urea is CCN(CC)S(=O)(=O)c1ccc(CNC(=O)NCc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 1-[(2,4-dichlorophenyl)methyl]-3-[[4-(diethylsulfamoyl)phenyl]methyl]urea?
The InChIKey is PNWWKWMJAMZVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23Cl2N3O3S/c1-3-24(4-2)28(26,27)17-9-5-14(6-10-17)12-22-19(25)23-13-15-7-8-16(20)11-18(15)21/h5-11H,3-4,12-13H2,1-2H3,(H2,22,23,25).
What are the key properties of 1-[(2,4-dichlorophenyl)methyl]-3-[[4-(diethylsulfamoyl)phenyl]methyl]urea?
1-[(2,4-dichlorophenyl)methyl]-3-[[4-(diethylsulfamoyl)phenyl]methyl]urea has a molecular weight of 444.38 g/mol, XLogP of 4.02, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dichlorophenyl)methyl]-3-[[4-(diethylsulfamoyl)phenyl]methyl]urea is sourced from PubChem (CID 55473112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).