3,3,3-trifluoro-N-(2-sulfamoylethyl)propanamide

C5H9F3N2O3S — CID 61067180

IUPAC3,3,3-trifluoro-N-(2-sulfamoylethyl)propanamide
SMILESNS(=O)(=O)CCNC(=O)CC(F)(F)F
InChIInChI=1S/C5H9F3N2O3S/c6-5(7,8)3-4(11)10-1-2-14(9,12)13/h1-3H2,(H,10,11)(H2,9,12,13)
InChIKeyILBLTBJYBCATSY-UHFFFAOYSA-N
MW234.20 g/mol
LogP-0.66
Rot. Bonds4

About 3,3,3-trifluoro-N-(2-sulfamoylethyl)propanamide

3,3,3-trifluoro-N-(2-sulfamoylethyl)propanamide (PubChem CID 61067180) has the molecular formula C5H9F3N2O3S and a molecular weight of 234.20 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-(2-sulfamoylethyl)propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-(2-sulfamoylethyl)propanamide
PubChem CID61067180
Molecular FormulaC5H9F3N2O3S
Molecular Weight234.20 g/mol
Exact Mass234.03
IUPAC Name3,3,3-trifluoro-N-(2-sulfamoylethyl)propanamide
SMILESNS(=O)(=O)CCNC(=O)CC(F)(F)F
InChIInChI=1S/C5H9F3N2O3S/c6-5(7,8)3-4(11)10-1-2-14(9,12)13/h1-3H2,(H,10,11)(H2,9,12,13)
InChIKeyILBLTBJYBCATSY-UHFFFAOYSA-N
XLogP-0.66
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.20
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-(2-sulfamoylethyl)propanamide?
The IUPAC name of 3,3,3-trifluoro-N-(2-sulfamoylethyl)propanamide (CID 61067180) is 3,3,3-trifluoro-N-(2-sulfamoylethyl)propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-(2-sulfamoylethyl)propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-(2-sulfamoylethyl)propanamide is NS(=O)(=O)CCNC(=O)CC(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N-(2-sulfamoylethyl)propanamide?
The InChIKey is ILBLTBJYBCATSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F3N2O3S/c6-5(7,8)3-4(11)10-1-2-14(9,12)13/h1-3H2,(H,10,11)(H2,9,12,13).
What are the key properties of 3,3,3-trifluoro-N-(2-sulfamoylethyl)propanamide?
3,3,3-trifluoro-N-(2-sulfamoylethyl)propanamide has a molecular weight of 234.20 g/mol, XLogP of -0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-(2-sulfamoylethyl)propanamide is sourced from PubChem (CID 61067180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).