3-(4-chlorophenyl)-1-[2-(4-chlorophenyl)sulfonylethyl]-1-ethylurea

C17H18Cl2N2O3S — CID 2818821

IUPAC3-(4-chlorophenyl)-1-[2-(4-chlorophenyl)sulfonylethyl]-1-ethylurea
SMILESCCN(CCS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C17H18Cl2N2O3S/c1-2-21(17(22)20-15-7-3-13(18)4-8-15)11-12-25(23,24)16-9-5-14(19)6-10-16/h3-10H,2,11-12H2,1H3,(H,20,22)
InChIKeyHPSBPDILHDHMPL-UHFFFAOYSA-N
MW401.32 g/mol
LogP4.32
Rot. Bonds6

About 3-(4-chlorophenyl)-1-[2-(4-chlorophenyl)sulfonylethyl]-1-ethylurea

3-(4-chlorophenyl)-1-[2-(4-chlorophenyl)sulfonylethyl]-1-ethylurea (PubChem CID 2818821) has the molecular formula C17H18Cl2N2O3S and a molecular weight of 401.32 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-[2-(4-chlorophenyl)sulfonylethyl]-1-ethylurea.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-[2-(4-chlorophenyl)sulfonylethyl]-1-ethylurea
PubChem CID2818821
Molecular FormulaC17H18Cl2N2O3S
Molecular Weight401.32 g/mol
Exact Mass400.04
IUPAC Name3-(4-chlorophenyl)-1-[2-(4-chlorophenyl)sulfonylethyl]-1-ethylurea
SMILESCCN(CCS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C17H18Cl2N2O3S/c1-2-21(17(22)20-15-7-3-13(18)4-8-15)11-12-25(23,24)16-9-5-14(19)6-10-16/h3-10H,2,11-12H2,1H3,(H,20,22)
InChIKeyHPSBPDILHDHMPL-UHFFFAOYSA-N
XLogP4.32
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.32
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4-chlorophenyl)-1-[2-(4-chlorophenyl)sulfonylethyl]-1-ethylurea 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

Glyparamide
CID 246940
1-(2-Chloro-5-methylsulfonylphenyl)-3-phenylurea
CID 2404411
1-(4-Chlorophenyl)-3-(4-(methylsulfonyl)phenyl)urea
CID 44447101
1-[2-(4-Chlorophenyl)sulfonylethyl]-1-ethyl-3-phenylurea
CID 2818820
3-(4-chlorophenyl)sulfanyl-N-[3-(dimethylsulfamoyl)phenyl]propanamide
CID 4780661
(1S,5R)-3-(benzenesulfonyl)-N-(4-chlorophenyl)-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 44190907
4-(4-chlorophenyl)-N-(4-sulfamoylphenyl)piperazine-1-carboxamide
CID 122187425
1-(4-Chlorophenyl)-3-[2-[(4-sulfamoylphenyl)sulfamoyl]ethyl]urea
CID 162672869
2-({2-[(4-chlorophenyl)sulfonyl]ethyl}thio)-N-phenylacetamide
CID 2819429
3-(4-chlorophenyl)sulfanyl-N-[3-(diethylsulfamoyl)phenyl]propanamide
CID 15945409
1-(4-Chlorophenyl)-3-(1,1-dioxidotetrahydrothiophen-3-yl)urea
CID 2831162
1-Chloro-4-({[(4-chloroanilino)carbonyl]amino}sulfonyl)benzene
CID 12536358

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-[2-(4-chlorophenyl)sulfonylethyl]-1-ethylurea?
The IUPAC name of 3-(4-chlorophenyl)-1-[2-(4-chlorophenyl)sulfonylethyl]-1-ethylurea (CID 2818821) is 3-(4-chlorophenyl)-1-[2-(4-chlorophenyl)sulfonylethyl]-1-ethylurea.
What is the SMILES notation for 3-(4-chlorophenyl)-1-[2-(4-chlorophenyl)sulfonylethyl]-1-ethylurea?
The canonical SMILES for 3-(4-chlorophenyl)-1-[2-(4-chlorophenyl)sulfonylethyl]-1-ethylurea is CCN(CCS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-1-[2-(4-chlorophenyl)sulfonylethyl]-1-ethylurea?
The InChIKey is HPSBPDILHDHMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O3S/c1-2-21(17(22)20-15-7-3-13(18)4-8-15)11-12-25(23,24)16-9-5-14(19)6-10-16/h3-10H,2,11-12H2,1H3,(H,20,22).
What are the key properties of 3-(4-chlorophenyl)-1-[2-(4-chlorophenyl)sulfonylethyl]-1-ethylurea?
3-(4-chlorophenyl)-1-[2-(4-chlorophenyl)sulfonylethyl]-1-ethylurea has a molecular weight of 401.32 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-[2-(4-chlorophenyl)sulfonylethyl]-1-ethylurea is sourced from PubChem (CID 2818821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).