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

C16H17ClN2O3S — CID 155436505

IUPAC1-(4-chlorophenyl)-3-[2-(4-methylsulfonylphenyl)ethyl]urea
SMILESCS(=O)(=O)c1ccc(CCNC(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H17ClN2O3S/c1-23(21,22)15-8-2-12(3-9-15)10-11-18-16(20)19-14-6-4-13(17)5-7-14/h2-9H,10-11H2,1H3,(H2,18,19,20)
InChIKeyDGPABBYSKVAZMB-UHFFFAOYSA-N
MW352.84 g/mol
LogP3.11
Rot. Bonds5

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

1-(4-chlorophenyl)-3-[2-(4-methylsulfonylphenyl)ethyl]urea (PubChem CID 155436505) has the molecular formula C16H17ClN2O3S and a molecular weight of 352.84 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[2-(4-methylsulfonylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[2-(4-methylsulfonylphenyl)ethyl]urea
PubChem CID155436505
Molecular FormulaC16H17ClN2O3S
Molecular Weight352.84 g/mol
Exact Mass352.06
IUPAC Name1-(4-chlorophenyl)-3-[2-(4-methylsulfonylphenyl)ethyl]urea
SMILESCS(=O)(=O)c1ccc(CCNC(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H17ClN2O3S/c1-23(21,22)15-8-2-12(3-9-15)10-11-18-16(20)19-14-6-4-13(17)5-7-14/h2-9H,10-11H2,1H3,(H2,18,19,20)
InChIKeyDGPABBYSKVAZMB-UHFFFAOYSA-N
XLogP3.11
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.84
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(4-chlorophenyl)-3-[2-(4-methylsulfonylphenyl)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

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[2-(4-methylsulfonylphenyl)ethyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[2-(4-methylsulfonylphenyl)ethyl]urea (CID 155436505) is 1-(4-chlorophenyl)-3-[2-(4-methylsulfonylphenyl)ethyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[2-(4-methylsulfonylphenyl)ethyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[2-(4-methylsulfonylphenyl)ethyl]urea is CS(=O)(=O)c1ccc(CCNC(=O)Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[2-(4-methylsulfonylphenyl)ethyl]urea?
The InChIKey is DGPABBYSKVAZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3S/c1-23(21,22)15-8-2-12(3-9-15)10-11-18-16(20)19-14-6-4-13(17)5-7-14/h2-9H,10-11H2,1H3,(H2,18,19,20).
What are the key properties of 1-(4-chlorophenyl)-3-[2-(4-methylsulfonylphenyl)ethyl]urea?
1-(4-chlorophenyl)-3-[2-(4-methylsulfonylphenyl)ethyl]urea has a molecular weight of 352.84 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[2-(4-methylsulfonylphenyl)ethyl]urea is sourced from PubChem (CID 155436505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).