2-[ethyl(sulfamoyl)amino]-1,1,1-trifluoroethane

C4H9F3N2O2S — CID 61073941

IUPAC2-[ethyl(sulfamoyl)amino]-1,1,1-trifluoroethane
SMILESCCN(CC(F)(F)F)S(N)(=O)=O
InChIInChI=1S/C4H9F3N2O2S/c1-2-9(12(8,10)11)3-4(5,6)7/h2-3H2,1H3,(H2,8,10,11)
InChIKeyJALGOHJMEVQJQJ-UHFFFAOYSA-N
MW206.19 g/mol
LogP0.07
Rot. Bonds3

About 2-[ethyl(sulfamoyl)amino]-1,1,1-trifluoroethane

2-[ethyl(sulfamoyl)amino]-1,1,1-trifluoroethane (PubChem CID 61073941) has the molecular formula C4H9F3N2O2S and a molecular weight of 206.19 g/mol. Its IUPAC name is 2-[ethyl(sulfamoyl)amino]-1,1,1-trifluoroethane.

Molecular Properties

Compound Name2-[ethyl(sulfamoyl)amino]-1,1,1-trifluoroethane
PubChem CID61073941
Molecular FormulaC4H9F3N2O2S
Molecular Weight206.19 g/mol
Exact Mass206.03
IUPAC Name2-[ethyl(sulfamoyl)amino]-1,1,1-trifluoroethane
SMILESCCN(CC(F)(F)F)S(N)(=O)=O
InChIInChI=1S/C4H9F3N2O2S/c1-2-9(12(8,10)11)3-4(5,6)7/h2-3H2,1H3,(H2,8,10,11)
InChIKeyJALGOHJMEVQJQJ-UHFFFAOYSA-N
XLogP0.07
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.19
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(sulfamoyl)amino]-1,1,1-trifluoroethane?
The IUPAC name of 2-[ethyl(sulfamoyl)amino]-1,1,1-trifluoroethane (CID 61073941) is 2-[ethyl(sulfamoyl)amino]-1,1,1-trifluoroethane.
What is the SMILES notation for 2-[ethyl(sulfamoyl)amino]-1,1,1-trifluoroethane?
The canonical SMILES for 2-[ethyl(sulfamoyl)amino]-1,1,1-trifluoroethane is CCN(CC(F)(F)F)S(N)(=O)=O.
What is the InChIKey of 2-[ethyl(sulfamoyl)amino]-1,1,1-trifluoroethane?
The InChIKey is JALGOHJMEVQJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9F3N2O2S/c1-2-9(12(8,10)11)3-4(5,6)7/h2-3H2,1H3,(H2,8,10,11).
What are the key properties of 2-[ethyl(sulfamoyl)amino]-1,1,1-trifluoroethane?
2-[ethyl(sulfamoyl)amino]-1,1,1-trifluoroethane has a molecular weight of 206.19 g/mol, XLogP of 0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(sulfamoyl)amino]-1,1,1-trifluoroethane is sourced from PubChem (CID 61073941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).