N-(3,3,3-trifluoropropyl)ethanesulfonamide

C5H10F3NO2S — CID 64586124

IUPACN-(3,3,3-trifluoropropyl)ethanesulfonamide
SMILESCCS(=O)(=O)NCCC(F)(F)F
InChIInChI=1S/C5H10F3NO2S/c1-2-12(10,11)9-4-3-5(6,7)8/h9H,2-4H2,1H3
InChIKeyWWVOFALFLVQMMU-UHFFFAOYSA-N
MW205.20 g/mol
LogP0.88
Rot. Bonds4

About N-(3,3,3-trifluoropropyl)ethanesulfonamide

N-(3,3,3-trifluoropropyl)ethanesulfonamide (PubChem CID 64586124) has the molecular formula C5H10F3NO2S and a molecular weight of 205.20 g/mol. Its IUPAC name is N-(3,3,3-trifluoropropyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(3,3,3-trifluoropropyl)ethanesulfonamide
PubChem CID64586124
Molecular FormulaC5H10F3NO2S
Molecular Weight205.20 g/mol
Exact Mass205.04
IUPAC NameN-(3,3,3-trifluoropropyl)ethanesulfonamide
SMILESCCS(=O)(=O)NCCC(F)(F)F
InChIInChI=1S/C5H10F3NO2S/c1-2-12(10,11)9-4-3-5(6,7)8/h9H,2-4H2,1H3
InChIKeyWWVOFALFLVQMMU-UHFFFAOYSA-N
XLogP0.88
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.20
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,3,3-trifluoropropyl)ethanesulfonamide?
The IUPAC name of N-(3,3,3-trifluoropropyl)ethanesulfonamide (CID 64586124) is N-(3,3,3-trifluoropropyl)ethanesulfonamide.
What is the SMILES notation for N-(3,3,3-trifluoropropyl)ethanesulfonamide?
The canonical SMILES for N-(3,3,3-trifluoropropyl)ethanesulfonamide is CCS(=O)(=O)NCCC(F)(F)F.
What is the InChIKey of N-(3,3,3-trifluoropropyl)ethanesulfonamide?
The InChIKey is WWVOFALFLVQMMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F3NO2S/c1-2-12(10,11)9-4-3-5(6,7)8/h9H,2-4H2,1H3.
What are the key properties of N-(3,3,3-trifluoropropyl)ethanesulfonamide?
N-(3,3,3-trifluoropropyl)ethanesulfonamide has a molecular weight of 205.20 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,3-trifluoropropyl)ethanesulfonamide is sourced from PubChem (CID 64586124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).