N-(2,2,2-trifluoroethyl)propane-2-sulfonamide

C5H10F3NO2S — CID 64592543

IUPACN-(2,2,2-trifluoroethyl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C5H10F3NO2S/c1-4(2)12(10,11)9-3-5(6,7)8/h4,9H,3H2,1-2H3
InChIKeyBQMVNBGDLJXQCD-UHFFFAOYSA-N
MW205.20 g/mol
LogP0.88
Rot. Bonds3

About N-(2,2,2-trifluoroethyl)propane-2-sulfonamide

N-(2,2,2-trifluoroethyl)propane-2-sulfonamide (PubChem CID 64592543) has the molecular formula C5H10F3NO2S and a molecular weight of 205.20 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethyl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethyl)propane-2-sulfonamide
PubChem CID64592543
Molecular FormulaC5H10F3NO2S
Molecular Weight205.20 g/mol
Exact Mass205.04
IUPAC NameN-(2,2,2-trifluoroethyl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C5H10F3NO2S/c1-4(2)12(10,11)9-3-5(6,7)8/h4,9H,3H2,1-2H3
InChIKeyBQMVNBGDLJXQCD-UHFFFAOYSA-N
XLogP0.88
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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-(2,2,2-trifluoroethyl)propane-2-sulfonamide?
The IUPAC name of N-(2,2,2-trifluoroethyl)propane-2-sulfonamide (CID 64592543) is N-(2,2,2-trifluoroethyl)propane-2-sulfonamide.
What is the SMILES notation for N-(2,2,2-trifluoroethyl)propane-2-sulfonamide?
The canonical SMILES for N-(2,2,2-trifluoroethyl)propane-2-sulfonamide is CC(C)S(=O)(=O)NCC(F)(F)F.
What is the InChIKey of N-(2,2,2-trifluoroethyl)propane-2-sulfonamide?
The InChIKey is BQMVNBGDLJXQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F3NO2S/c1-4(2)12(10,11)9-3-5(6,7)8/h4,9H,3H2,1-2H3.
What are the key properties of N-(2,2,2-trifluoroethyl)propane-2-sulfonamide?
N-(2,2,2-trifluoroethyl)propane-2-sulfonamide has a molecular weight of 205.20 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethyl)propane-2-sulfonamide is sourced from PubChem (CID 64592543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).