1-[2-(2-fluorophenyl)ethyl]-3-(2-methyl-5-methylsulfonylphenyl)urea

C17H19FN2O3S — CID 47033070

IUPAC1-[2-(2-fluorophenyl)ethyl]-3-(2-methyl-5-methylsulfonylphenyl)urea
SMILESCc1ccc(S(C)(=O)=O)cc1NC(=O)NCCc1ccccc1F
InChIInChI=1S/C17H19FN2O3S/c1-12-7-8-14(24(2,22)23)11-16(12)20-17(21)19-10-9-13-5-3-4-6-15(13)18/h3-8,11H,9-10H2,1-2H3,(H2,19,20,21)
InChIKeyPYXFIQFDQNNXAD-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.90
Rot. Bonds5

About 1-[2-(2-fluorophenyl)ethyl]-3-(2-methyl-5-methylsulfonylphenyl)urea

1-[2-(2-fluorophenyl)ethyl]-3-(2-methyl-5-methylsulfonylphenyl)urea (PubChem CID 47033070) has the molecular formula C17H19FN2O3S and a molecular weight of 350.42 g/mol. Its IUPAC name is 1-[2-(2-fluorophenyl)ethyl]-3-(2-methyl-5-methylsulfonylphenyl)urea.

Molecular Properties

Compound Name1-[2-(2-fluorophenyl)ethyl]-3-(2-methyl-5-methylsulfonylphenyl)urea
PubChem CID47033070
Molecular FormulaC17H19FN2O3S
Molecular Weight350.42 g/mol
Exact Mass350.11
IUPAC Name1-[2-(2-fluorophenyl)ethyl]-3-(2-methyl-5-methylsulfonylphenyl)urea
SMILESCc1ccc(S(C)(=O)=O)cc1NC(=O)NCCc1ccccc1F
InChIInChI=1S/C17H19FN2O3S/c1-12-7-8-14(24(2,22)23)11-16(12)20-17(21)19-10-9-13-5-3-4-6-15(13)18/h3-8,11H,9-10H2,1-2H3,(H2,19,20,21)
InChIKeyPYXFIQFDQNNXAD-UHFFFAOYSA-N
XLogP2.90
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenyl)ethyl]-3-(2-methyl-5-methylsulfonylphenyl)urea?
The IUPAC name of 1-[2-(2-fluorophenyl)ethyl]-3-(2-methyl-5-methylsulfonylphenyl)urea (CID 47033070) is 1-[2-(2-fluorophenyl)ethyl]-3-(2-methyl-5-methylsulfonylphenyl)urea.
What is the SMILES notation for 1-[2-(2-fluorophenyl)ethyl]-3-(2-methyl-5-methylsulfonylphenyl)urea?
The canonical SMILES for 1-[2-(2-fluorophenyl)ethyl]-3-(2-methyl-5-methylsulfonylphenyl)urea is Cc1ccc(S(C)(=O)=O)cc1NC(=O)NCCc1ccccc1F.
What is the InChIKey of 1-[2-(2-fluorophenyl)ethyl]-3-(2-methyl-5-methylsulfonylphenyl)urea?
The InChIKey is PYXFIQFDQNNXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O3S/c1-12-7-8-14(24(2,22)23)11-16(12)20-17(21)19-10-9-13-5-3-4-6-15(13)18/h3-8,11H,9-10H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-[2-(2-fluorophenyl)ethyl]-3-(2-methyl-5-methylsulfonylphenyl)urea?
1-[2-(2-fluorophenyl)ethyl]-3-(2-methyl-5-methylsulfonylphenyl)urea has a molecular weight of 350.42 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenyl)ethyl]-3-(2-methyl-5-methylsulfonylphenyl)urea is sourced from PubChem (CID 47033070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).