N-(trifluoromethyl)propane-2-sulfonamide

C4H8F3NO2S — CID 146338247

IUPACN-(trifluoromethyl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC(F)(F)F
InChIInChI=1S/C4H8F3NO2S/c1-3(2)11(9,10)8-4(5,6)7/h3,8H,1-2H3
InChIKeyOYUUHRATHNBTLE-UHFFFAOYSA-N
MW191.17 g/mol
LogP0.83
Rot. Bonds2

About N-(trifluoromethyl)propane-2-sulfonamide

N-(trifluoromethyl)propane-2-sulfonamide (PubChem CID 146338247) has the molecular formula C4H8F3NO2S and a molecular weight of 191.17 g/mol. Its IUPAC name is N-(trifluoromethyl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(trifluoromethyl)propane-2-sulfonamide
PubChem CID146338247
Molecular FormulaC4H8F3NO2S
Molecular Weight191.17 g/mol
Exact Mass191.02
IUPAC NameN-(trifluoromethyl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC(F)(F)F
InChIInChI=1S/C4H8F3NO2S/c1-3(2)11(9,10)8-4(5,6)7/h3,8H,1-2H3
InChIKeyOYUUHRATHNBTLE-UHFFFAOYSA-N
XLogP0.83
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.17
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(trifluoromethyl)propane-2-sulfonamide?
The IUPAC name of N-(trifluoromethyl)propane-2-sulfonamide (CID 146338247) is N-(trifluoromethyl)propane-2-sulfonamide.
What is the SMILES notation for N-(trifluoromethyl)propane-2-sulfonamide?
The canonical SMILES for N-(trifluoromethyl)propane-2-sulfonamide is CC(C)S(=O)(=O)NC(F)(F)F.
What is the InChIKey of N-(trifluoromethyl)propane-2-sulfonamide?
The InChIKey is OYUUHRATHNBTLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8F3NO2S/c1-3(2)11(9,10)8-4(5,6)7/h3,8H,1-2H3.
What are the key properties of N-(trifluoromethyl)propane-2-sulfonamide?
N-(trifluoromethyl)propane-2-sulfonamide has a molecular weight of 191.17 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(trifluoromethyl)propane-2-sulfonamide is sourced from PubChem (CID 146338247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).