1-(2-chloro-5-methylsulfonylphenyl)-3-phenylurea

C14H13ClN2O3S — CID 2404411

IUPAC1-(2-chloro-5-methylsulfonylphenyl)-3-phenylurea
SMILESCS(=O)(=O)c1ccc(Cl)c(NC(=O)Nc2ccccc2)c1
InChIInChI=1S/C14H13ClN2O3S/c1-21(19,20)11-7-8-12(15)13(9-11)17-14(18)16-10-5-3-2-4-6-10/h2-9H,1H3,(H2,16,17,18)
InChIKeyFHLVNHIAOVDJJF-UHFFFAOYSA-N
MW324.79 g/mol
LogP3.39
Rot. Bonds3

About 1-(2-chloro-5-methylsulfonylphenyl)-3-phenylurea

1-(2-chloro-5-methylsulfonylphenyl)-3-phenylurea (PubChem CID 2404411) has the molecular formula C14H13ClN2O3S and a molecular weight of 324.79 g/mol. Its IUPAC name is 1-(2-chloro-5-methylsulfonylphenyl)-3-phenylurea.

Molecular Properties

Compound Name1-(2-chloro-5-methylsulfonylphenyl)-3-phenylurea
PubChem CID2404411
Molecular FormulaC14H13ClN2O3S
Molecular Weight324.79 g/mol
Exact Mass324.03
IUPAC Name1-(2-chloro-5-methylsulfonylphenyl)-3-phenylurea
SMILESCS(=O)(=O)c1ccc(Cl)c(NC(=O)Nc2ccccc2)c1
InChIInChI=1S/C14H13ClN2O3S/c1-21(19,20)11-7-8-12(15)13(9-11)17-14(18)16-10-5-3-2-4-6-10/h2-9H,1H3,(H2,16,17,18)
InChIKeyFHLVNHIAOVDJJF-UHFFFAOYSA-N
XLogP3.39
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.79
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-Chlorophenyl)-3-(3-sulfamoylphenyl)urea
CID 4157467
1-(4-Chlorophenyl)-3-(4-(methylsulfonyl)phenyl)urea
CID 44447101
N-(4-chlorophenyl)-N'-[3-(methylthio)phenyl]urea
CID 303365
1-(3-Chlorophenyl)-3-(2-methylsulfanylphenyl)urea
CID 2226935
N-(4-chlorophenyl)-N'-[2-(methylthio)phenyl]urea
CID 2243648
2-chloro-N-(2-chloro-5-methylsulfonylphenyl)acetamide
CID 2566083
1-[2-(4-Chlorophenyl)sulfonylethyl]-1-ethyl-3-phenylurea
CID 2818820
3-(4-chlorophenyl)sulfonyl-N-(3-sulfamoylphenyl)propanamide
CID 4237823
3-(4-chlorophenyl)sulfanyl-N-(3-sulfamoylphenyl)propanamide
CID 4425333
1-(2,4-Dichloro-5-sulfamoylphenyl)-3-(4-sulfamoylphenyl)urea
CID 90644479
1-(2,4-Dichloro-5-sulfamoylphenyl)-3-phenylurea
CID 90644503
1-(4-Chlorophenyl)-3-(2,4-dichloro-5-sulfamoylphenyl)urea
CID 90644504

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-methylsulfonylphenyl)-3-phenylurea?
The IUPAC name of 1-(2-chloro-5-methylsulfonylphenyl)-3-phenylurea (CID 2404411) is 1-(2-chloro-5-methylsulfonylphenyl)-3-phenylurea.
What is the SMILES notation for 1-(2-chloro-5-methylsulfonylphenyl)-3-phenylurea?
The canonical SMILES for 1-(2-chloro-5-methylsulfonylphenyl)-3-phenylurea is CS(=O)(=O)c1ccc(Cl)c(NC(=O)Nc2ccccc2)c1.
What is the InChIKey of 1-(2-chloro-5-methylsulfonylphenyl)-3-phenylurea?
The InChIKey is FHLVNHIAOVDJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O3S/c1-21(19,20)11-7-8-12(15)13(9-11)17-14(18)16-10-5-3-2-4-6-10/h2-9H,1H3,(H2,16,17,18).
What are the key properties of 1-(2-chloro-5-methylsulfonylphenyl)-3-phenylurea?
1-(2-chloro-5-methylsulfonylphenyl)-3-phenylurea has a molecular weight of 324.79 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-methylsulfonylphenyl)-3-phenylurea is sourced from PubChem (CID 2404411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).