3-[ethyl(sulfamoyl)amino]-1,1,1-trifluoro-2-hydroxypropane

C5H11F3N2O3S — CID 167049288

IUPAC3-[ethyl(sulfamoyl)amino]-1,1,1-trifluoro-2-hydroxypropane
SMILESCCN(CC(O)C(F)(F)F)S(N)(=O)=O
InChIInChI=1S/C5H11F3N2O3S/c1-2-10(14(9,12)13)3-4(11)5(6,7)8/h4,11H,2-3H2,1H3,(H2,9,12,13)
InChIKeyUHWMPTVEPHWFKR-UHFFFAOYSA-N
MW236.21 g/mol
LogP-0.56
Rot. Bonds4

About 3-[ethyl(sulfamoyl)amino]-1,1,1-trifluoro-2-hydroxypropane

3-[ethyl(sulfamoyl)amino]-1,1,1-trifluoro-2-hydroxypropane (PubChem CID 167049288) has the molecular formula C5H11F3N2O3S and a molecular weight of 236.21 g/mol. Its IUPAC name is 3-[ethyl(sulfamoyl)amino]-1,1,1-trifluoro-2-hydroxypropane.

Molecular Properties

Compound Name3-[ethyl(sulfamoyl)amino]-1,1,1-trifluoro-2-hydroxypropane
PubChem CID167049288
Molecular FormulaC5H11F3N2O3S
Molecular Weight236.21 g/mol
Exact Mass236.04
IUPAC Name3-[ethyl(sulfamoyl)amino]-1,1,1-trifluoro-2-hydroxypropane
SMILESCCN(CC(O)C(F)(F)F)S(N)(=O)=O
InChIInChI=1S/C5H11F3N2O3S/c1-2-10(14(9,12)13)3-4(11)5(6,7)8/h4,11H,2-3H2,1H3,(H2,9,12,13)
InChIKeyUHWMPTVEPHWFKR-UHFFFAOYSA-N
XLogP-0.56
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.21
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(sulfamoyl)amino]-1,1,1-trifluoro-2-hydroxypropane?
The IUPAC name of 3-[ethyl(sulfamoyl)amino]-1,1,1-trifluoro-2-hydroxypropane (CID 167049288) is 3-[ethyl(sulfamoyl)amino]-1,1,1-trifluoro-2-hydroxypropane.
What is the SMILES notation for 3-[ethyl(sulfamoyl)amino]-1,1,1-trifluoro-2-hydroxypropane?
The canonical SMILES for 3-[ethyl(sulfamoyl)amino]-1,1,1-trifluoro-2-hydroxypropane is CCN(CC(O)C(F)(F)F)S(N)(=O)=O.
What is the InChIKey of 3-[ethyl(sulfamoyl)amino]-1,1,1-trifluoro-2-hydroxypropane?
The InChIKey is UHWMPTVEPHWFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11F3N2O3S/c1-2-10(14(9,12)13)3-4(11)5(6,7)8/h4,11H,2-3H2,1H3,(H2,9,12,13).
What are the key properties of 3-[ethyl(sulfamoyl)amino]-1,1,1-trifluoro-2-hydroxypropane?
3-[ethyl(sulfamoyl)amino]-1,1,1-trifluoro-2-hydroxypropane has a molecular weight of 236.21 g/mol, XLogP of -0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(sulfamoyl)amino]-1,1,1-trifluoro-2-hydroxypropane is sourced from PubChem (CID 167049288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).