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

C7H14F3NO2S — CID 62999489

IUPACN-ethyl-N-(2,2,2-trifluoroethyl)propane-2-sulfonamide
SMILESCCN(CC(F)(F)F)S(=O)(=O)C(C)C
InChIInChI=1S/C7H14F3NO2S/c1-4-11(5-7(8,9)10)14(12,13)6(2)3/h6H,4-5H2,1-3H3
InChIKeyOBWUXKPBMNUQLI-UHFFFAOYSA-N
MW233.25 g/mol
LogP1.61
Rot. Bonds4

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

N-ethyl-N-(2,2,2-trifluoroethyl)propane-2-sulfonamide (PubChem CID 62999489) has the molecular formula C7H14F3NO2S and a molecular weight of 233.25 g/mol. Its IUPAC name is N-ethyl-N-(2,2,2-trifluoroethyl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-ethyl-N-(2,2,2-trifluoroethyl)propane-2-sulfonamide
PubChem CID62999489
Molecular FormulaC7H14F3NO2S
Molecular Weight233.25 g/mol
Exact Mass233.07
IUPAC NameN-ethyl-N-(2,2,2-trifluoroethyl)propane-2-sulfonamide
SMILESCCN(CC(F)(F)F)S(=O)(=O)C(C)C
InChIInChI=1S/C7H14F3NO2S/c1-4-11(5-7(8,9)10)14(12,13)6(2)3/h6H,4-5H2,1-3H3
InChIKeyOBWUXKPBMNUQLI-UHFFFAOYSA-N
XLogP1.61
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2,2,2-trifluoroethyl)propane-2-sulfonamide?
The IUPAC name of N-ethyl-N-(2,2,2-trifluoroethyl)propane-2-sulfonamide (CID 62999489) is N-ethyl-N-(2,2,2-trifluoroethyl)propane-2-sulfonamide.
What is the SMILES notation for N-ethyl-N-(2,2,2-trifluoroethyl)propane-2-sulfonamide?
The canonical SMILES for N-ethyl-N-(2,2,2-trifluoroethyl)propane-2-sulfonamide is CCN(CC(F)(F)F)S(=O)(=O)C(C)C.
What is the InChIKey of N-ethyl-N-(2,2,2-trifluoroethyl)propane-2-sulfonamide?
The InChIKey is OBWUXKPBMNUQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3NO2S/c1-4-11(5-7(8,9)10)14(12,13)6(2)3/h6H,4-5H2,1-3H3.
What are the key properties of N-ethyl-N-(2,2,2-trifluoroethyl)propane-2-sulfonamide?
N-ethyl-N-(2,2,2-trifluoroethyl)propane-2-sulfonamide has a molecular weight of 233.25 g/mol, XLogP of 1.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2,2,2-trifluoroethyl)propane-2-sulfonamide is sourced from PubChem (CID 62999489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).