N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide

C8H16F3NO2S — CID 61357191

IUPACN-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide
SMILESCCS(=O)(=O)N(CC(C)C)CC(F)(F)F
InChIInChI=1S/C8H16F3NO2S/c1-4-15(13,14)12(5-7(2)3)6-8(9,10)11/h7H,4-6H2,1-3H3
InChIKeyDRZLSPFJMOJCSW-UHFFFAOYSA-N
MW247.28 g/mol
LogP1.86
Rot. Bonds5

About N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide

N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide (PubChem CID 61357191) has the molecular formula C8H16F3NO2S and a molecular weight of 247.28 g/mol. Its IUPAC name is N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide
PubChem CID61357191
Molecular FormulaC8H16F3NO2S
Molecular Weight247.28 g/mol
Exact Mass247.09
IUPAC NameN-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide
SMILESCCS(=O)(=O)N(CC(C)C)CC(F)(F)F
InChIInChI=1S/C8H16F3NO2S/c1-4-15(13,14)12(5-7(2)3)6-8(9,10)11/h7H,4-6H2,1-3H3
InChIKeyDRZLSPFJMOJCSW-UHFFFAOYSA-N
XLogP1.86
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide?
The IUPAC name of N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide (CID 61357191) is N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide.
What is the SMILES notation for N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide?
The canonical SMILES for N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide is CCS(=O)(=O)N(CC(C)C)CC(F)(F)F.
What is the InChIKey of N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide?
The InChIKey is DRZLSPFJMOJCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NO2S/c1-4-15(13,14)12(5-7(2)3)6-8(9,10)11/h7H,4-6H2,1-3H3.
What are the key properties of N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide?
N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide has a molecular weight of 247.28 g/mol, XLogP of 1.86, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide is sourced from PubChem (CID 61357191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).