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

C8H16F3NO2S — CID 64586293

IUPACN-propan-2-yl-N-(2,2,2-trifluoroethyl)propane-2-sulfonamide
SMILESCC(C)N(CC(F)(F)F)S(=O)(=O)C(C)C
InChIInChI=1S/C8H16F3NO2S/c1-6(2)12(5-8(9,10)11)15(13,14)7(3)4/h6-7H,5H2,1-4H3
InChIKeyCDCRJICCHSJWSK-UHFFFAOYSA-N
MW247.28 g/mol
LogP2.00
Rot. Bonds4

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

N-propan-2-yl-N-(2,2,2-trifluoroethyl)propane-2-sulfonamide (PubChem CID 64586293) has the molecular formula C8H16F3NO2S and a molecular weight of 247.28 g/mol. Its IUPAC name is N-propan-2-yl-N-(2,2,2-trifluoroethyl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-propan-2-yl-N-(2,2,2-trifluoroethyl)propane-2-sulfonamide
PubChem CID64586293
Molecular FormulaC8H16F3NO2S
Molecular Weight247.28 g/mol
Exact Mass247.09
IUPAC NameN-propan-2-yl-N-(2,2,2-trifluoroethyl)propane-2-sulfonamide
SMILESCC(C)N(CC(F)(F)F)S(=O)(=O)C(C)C
InChIInChI=1S/C8H16F3NO2S/c1-6(2)12(5-8(9,10)11)15(13,14)7(3)4/h6-7H,5H2,1-4H3
InChIKeyCDCRJICCHSJWSK-UHFFFAOYSA-N
XLogP2.00
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-propan-2-yl-N-(2,2,2-trifluoroethyl)propane-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-N-(2,2,2-trifluoroethyl)propane-2-sulfonamide?
The IUPAC name of N-propan-2-yl-N-(2,2,2-trifluoroethyl)propane-2-sulfonamide (CID 64586293) is N-propan-2-yl-N-(2,2,2-trifluoroethyl)propane-2-sulfonamide.
What is the SMILES notation for N-propan-2-yl-N-(2,2,2-trifluoroethyl)propane-2-sulfonamide?
The canonical SMILES for N-propan-2-yl-N-(2,2,2-trifluoroethyl)propane-2-sulfonamide is CC(C)N(CC(F)(F)F)S(=O)(=O)C(C)C.
What is the InChIKey of N-propan-2-yl-N-(2,2,2-trifluoroethyl)propane-2-sulfonamide?
The InChIKey is CDCRJICCHSJWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NO2S/c1-6(2)12(5-8(9,10)11)15(13,14)7(3)4/h6-7H,5H2,1-4H3.
What are the key properties of N-propan-2-yl-N-(2,2,2-trifluoroethyl)propane-2-sulfonamide?
N-propan-2-yl-N-(2,2,2-trifluoroethyl)propane-2-sulfonamide has a molecular weight of 247.28 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-N-(2,2,2-trifluoroethyl)propane-2-sulfonamide is sourced from PubChem (CID 64586293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).