1-(2-sulfamoylethyl)-3-(2,2,2-trifluoroethyl)urea

C5H10F3N3O3S — CID 115583982

IUPAC1-(2-sulfamoylethyl)-3-(2,2,2-trifluoroethyl)urea
SMILESNS(=O)(=O)CCNC(=O)NCC(F)(F)F
InChIInChI=1S/C5H10F3N3O3S/c6-5(7,8)3-11-4(12)10-1-2-15(9,13)14/h1-3H2,(H2,9,13,14)(H2,10,11,12)
InChIKeyUPUBJLQNQIQOSH-UHFFFAOYSA-N
MW249.21 g/mol
LogP-0.86
Rot. Bonds4

About 1-(2-sulfamoylethyl)-3-(2,2,2-trifluoroethyl)urea

1-(2-sulfamoylethyl)-3-(2,2,2-trifluoroethyl)urea (PubChem CID 115583982) has the molecular formula C5H10F3N3O3S and a molecular weight of 249.21 g/mol. Its IUPAC name is 1-(2-sulfamoylethyl)-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-(2-sulfamoylethyl)-3-(2,2,2-trifluoroethyl)urea
PubChem CID115583982
Molecular FormulaC5H10F3N3O3S
Molecular Weight249.21 g/mol
Exact Mass249.04
IUPAC Name1-(2-sulfamoylethyl)-3-(2,2,2-trifluoroethyl)urea
SMILESNS(=O)(=O)CCNC(=O)NCC(F)(F)F
InChIInChI=1S/C5H10F3N3O3S/c6-5(7,8)3-11-4(12)10-1-2-15(9,13)14/h1-3H2,(H2,9,13,14)(H2,10,11,12)
InChIKeyUPUBJLQNQIQOSH-UHFFFAOYSA-N
XLogP-0.86
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.21
LogP ≤ 5-0.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-Methyl-3-[2-(trifluoromethylsulfonylamino)ethyl]urea
CID 59006573
1-[2-(Dimethylsulfamoyl)ethyl]-3-(2-fluoroethyl)urea
CID 88684532
1-Methylsulfonyl-3-(2,2,2-trifluoroethyl)urea
CID 90325901
2-Sulfamoylethylurea
CID 43552136
1-(2,2-Difluoroethyl)-3-[3-(ethylsulfonylamino)propyl]-1-methylurea
CID 60253638
1-[2-(Methylsulfamoyl)ethyl]-3-(2,2,2-trifluoroethyl)urea
CID 102675488
1-[2-(Dimethylsulfamoyl)ethyl]-3-(2,2,2-trifluoroethyl)urea
CID 106335739
1-[2-(Methanesulfonamido)ethyl]-3-(2,2,2-trifluoroethyl)urea
CID 115579197
1-(2-Methylsulfonylethyl)-3-(2,2,2-trifluoroethyl)urea
CID 115592910
1-(3-Sulfamoylpropyl)-3-(2,2,2-trifluoroethyl)urea
CID 115592915
1-(3-Methylsulfonylpropyl)-3-(2,2,2-trifluoroethyl)urea
CID 115592918
1-Methyl-1-(2-methylsulfonylethyl)-3-(2,2,2-trifluoroethyl)urea
CID 115609256

Frequently Asked Questions

What is the IUPAC name of 1-(2-sulfamoylethyl)-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-(2-sulfamoylethyl)-3-(2,2,2-trifluoroethyl)urea (CID 115583982) is 1-(2-sulfamoylethyl)-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-(2-sulfamoylethyl)-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-(2-sulfamoylethyl)-3-(2,2,2-trifluoroethyl)urea is NS(=O)(=O)CCNC(=O)NCC(F)(F)F.
What is the InChIKey of 1-(2-sulfamoylethyl)-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is UPUBJLQNQIQOSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F3N3O3S/c6-5(7,8)3-11-4(12)10-1-2-15(9,13)14/h1-3H2,(H2,9,13,14)(H2,10,11,12).
What are the key properties of 1-(2-sulfamoylethyl)-3-(2,2,2-trifluoroethyl)urea?
1-(2-sulfamoylethyl)-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 249.21 g/mol, XLogP of -0.86, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-sulfamoylethyl)-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 115583982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).