1-[4-(ethylsulfamoyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea

C16H16F3N3O3S — CID 2211952

IUPAC1-[4-(ethylsulfamoyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
SMILESCCNS(=O)(=O)c1ccc(NC(=O)Nc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C16H16F3N3O3S/c1-2-20-26(24,25)14-8-6-12(7-9-14)21-15(23)22-13-5-3-4-11(10-13)16(17,18)19/h3-10,20H,2H2,1H3,(H2,21,22,23)
InChIKeyDWUXNTNPZFMOAB-UHFFFAOYSA-N
MW387.38 g/mol
LogP3.65
Rot. Bonds5

About 1-[4-(ethylsulfamoyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea

1-[4-(ethylsulfamoyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea (PubChem CID 2211952) has the molecular formula C16H16F3N3O3S and a molecular weight of 387.38 g/mol. Its IUPAC name is 1-[4-(ethylsulfamoyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[4-(ethylsulfamoyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
PubChem CID2211952
Molecular FormulaC16H16F3N3O3S
Molecular Weight387.38 g/mol
Exact Mass387.09
IUPAC Name1-[4-(ethylsulfamoyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
SMILESCCNS(=O)(=O)c1ccc(NC(=O)Nc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C16H16F3N3O3S/c1-2-20-26(24,25)14-8-6-12(7-9-14)21-15(23)22-13-5-3-4-11(10-13)16(17,18)19/h3-10,20H,2H2,1H3,(H2,21,22,23)
InChIKeyDWUXNTNPZFMOAB-UHFFFAOYSA-N
XLogP3.65
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.38
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(ethylsulfamoyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[4-(ethylsulfamoyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea (CID 2211952) is 1-[4-(ethylsulfamoyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[4-(ethylsulfamoyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[4-(ethylsulfamoyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea is CCNS(=O)(=O)c1ccc(NC(=O)Nc2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of 1-[4-(ethylsulfamoyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea?
The InChIKey is DWUXNTNPZFMOAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O3S/c1-2-20-26(24,25)14-8-6-12(7-9-14)21-15(23)22-13-5-3-4-11(10-13)16(17,18)19/h3-10,20H,2H2,1H3,(H2,21,22,23).
What are the key properties of 1-[4-(ethylsulfamoyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea?
1-[4-(ethylsulfamoyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea has a molecular weight of 387.38 g/mol, XLogP of 3.65, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(ethylsulfamoyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 2211952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).