N-(trifluoromethylsulfonyl)ethanesulfonamide

C3H6F3NO4S2 — CID 18352286

IUPACN-(trifluoromethylsulfonyl)ethanesulfonamide
SMILESCCS(=O)(=O)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C3H6F3NO4S2/c1-2-12(8,9)7-13(10,11)3(4,5)6/h7H,2H2,1H3
InChIKeyJGCHJGPABUNKJI-UHFFFAOYSA-N
MW241.21 g/mol
LogP-0.22
Rot. Bonds3

About N-(trifluoromethylsulfonyl)ethanesulfonamide

N-(trifluoromethylsulfonyl)ethanesulfonamide (PubChem CID 18352286) has the molecular formula C3H6F3NO4S2 and a molecular weight of 241.21 g/mol. Its IUPAC name is N-(trifluoromethylsulfonyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(trifluoromethylsulfonyl)ethanesulfonamide
PubChem CID18352286
Molecular FormulaC3H6F3NO4S2
Molecular Weight241.21 g/mol
Exact Mass240.97
IUPAC NameN-(trifluoromethylsulfonyl)ethanesulfonamide
SMILESCCS(=O)(=O)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C3H6F3NO4S2/c1-2-12(8,9)7-13(10,11)3(4,5)6/h7H,2H2,1H3
InChIKeyJGCHJGPABUNKJI-UHFFFAOYSA-N
XLogP-0.22
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2,2-Trifluoroethane-1-sulfonamide
CID 21265546
3,3,3-Trifluoropropane-1-sulfonamide
CID 45790444
2,2-Difluoroethane-1-sulfonamide
CID 50989787
1,1-Difluoroethane-1-sulfonamide
CID 57536606
1,1,2,2,2-pentafluoro-N-methylsulfonylethanesulfonamide
CID 58981321
1,1,1-Trifluoropropane-2-sulfonamide
CID 71758664
1,1,1-Trifluoro-2-methylsulfanylsulfonylethane
CID 2760708
Trifluoromethylsulfonyl ethanesulfonate
CID 15557269
[N-butylsulfonyl-S-(difluoromethyl)sulfonimidoyl] hypofluorite
CID 20705425
[S-(difluoromethyl)-N-(2,2,2-trifluoroethylsulfonyl)sulfonimidoyl] hypofluorite
CID 20705435
2,2,2-trifluoro-N-(2,2,2-trifluoroethylsulfonyl)ethanesulfonamide
CID 22061690
1,2,2-Trifluoroethanesulfonamide
CID 22935181

Frequently Asked Questions

What is the IUPAC name of N-(trifluoromethylsulfonyl)ethanesulfonamide?
The IUPAC name of N-(trifluoromethylsulfonyl)ethanesulfonamide (CID 18352286) is N-(trifluoromethylsulfonyl)ethanesulfonamide.
What is the SMILES notation for N-(trifluoromethylsulfonyl)ethanesulfonamide?
The canonical SMILES for N-(trifluoromethylsulfonyl)ethanesulfonamide is CCS(=O)(=O)NS(=O)(=O)C(F)(F)F.
What is the InChIKey of N-(trifluoromethylsulfonyl)ethanesulfonamide?
The InChIKey is JGCHJGPABUNKJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6F3NO4S2/c1-2-12(8,9)7-13(10,11)3(4,5)6/h7H,2H2,1H3.
What are the key properties of N-(trifluoromethylsulfonyl)ethanesulfonamide?
N-(trifluoromethylsulfonyl)ethanesulfonamide has a molecular weight of 241.21 g/mol, XLogP of -0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(trifluoromethylsulfonyl)ethanesulfonamide is sourced from PubChem (CID 18352286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).