1-[3-(4-chlorophenyl)propyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea

C18H22ClN3O3S — CID 142727589

IUPAC1-[3-(4-chlorophenyl)propyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea
SMILESNS(=O)(=O)c1ccc(CCNC(=O)NCCCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H22ClN3O3S/c19-16-7-3-14(4-8-16)2-1-12-21-18(23)22-13-11-15-5-9-17(10-6-15)26(20,24)25/h3-10H,1-2,11-13H2,(H2,20,24,25)(H2,21,22,23)
InChIKeyHCHVVIPIUZRHFJ-UHFFFAOYSA-N
MW395.91 g/mol
LogP2.46
Rot. Bonds8

About 1-[3-(4-chlorophenyl)propyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea

1-[3-(4-chlorophenyl)propyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea (PubChem CID 142727589) has the molecular formula C18H22ClN3O3S and a molecular weight of 395.91 g/mol. Its IUPAC name is 1-[3-(4-chlorophenyl)propyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-[3-(4-chlorophenyl)propyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea
PubChem CID142727589
Molecular FormulaC18H22ClN3O3S
Molecular Weight395.91 g/mol
Exact Mass395.11
IUPAC Name1-[3-(4-chlorophenyl)propyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea
SMILESNS(=O)(=O)c1ccc(CCNC(=O)NCCCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H22ClN3O3S/c19-16-7-3-14(4-8-16)2-1-12-21-18(23)22-13-11-15-5-9-17(10-6-15)26(20,24)25/h3-10H,1-2,11-13H2,(H2,20,24,25)(H2,21,22,23)
InChIKeyHCHVVIPIUZRHFJ-UHFFFAOYSA-N
XLogP2.46
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.91
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[3-(4-chlorophenyl)propyl]-3-[2-(4-sulfamoylphenyl)ethyl]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

4-(2-((Cyclohexylcarbamoyl)amino)ethyl)benzenesulfonamide
CID 841429
2-(4-chlorophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 1346695
Tosifen
CID 36102
4-[2-[(4-Chlorophenyl)methylamino]ethyl]benzenesulfonamide
CID 4722330
Sch 11973
CID 193147
N-(benzylcarbamoyl)-2-chlorobenzenesulfonamide
CID 744686
1-(4-Methylphenyl)sulfonyl-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 1989902
{[(4-chlorophenyl)methyl]amino}-N-[(4-methylphenyl)sulfonyl]carboxamide
CID 2103195
4-[({[(4-Chlorobenzyl)amino]carbonothioyl}amino)methyl]benzenesulfonamide
CID 2208056
4-(benzenesulfonyl)-N-[(4-chlorophenyl)methyl]piperazine-1-carboxamide
CID 9207918
1-(Benzenesulfonyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 101874826
1-(2-Methylphenyl)sulfonyl-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 101874827

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chlorophenyl)propyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea?
The IUPAC name of 1-[3-(4-chlorophenyl)propyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea (CID 142727589) is 1-[3-(4-chlorophenyl)propyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea.
What is the SMILES notation for 1-[3-(4-chlorophenyl)propyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea?
The canonical SMILES for 1-[3-(4-chlorophenyl)propyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea is NS(=O)(=O)c1ccc(CCNC(=O)NCCCc2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-[3-(4-chlorophenyl)propyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea?
The InChIKey is HCHVVIPIUZRHFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O3S/c19-16-7-3-14(4-8-16)2-1-12-21-18(23)22-13-11-15-5-9-17(10-6-15)26(20,24)25/h3-10H,1-2,11-13H2,(H2,20,24,25)(H2,21,22,23).
What are the key properties of 1-[3-(4-chlorophenyl)propyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea?
1-[3-(4-chlorophenyl)propyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea has a molecular weight of 395.91 g/mol, XLogP of 2.46, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-chlorophenyl)propyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea is sourced from PubChem (CID 142727589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).