N-(1,1,2,2,2-pentafluoroethyl)propane-2-sulfonamide

C5H8F5NO2S — CID 146603446

IUPACN-(1,1,2,2,2-pentafluoroethyl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC(F)(F)C(F)(F)F
InChIInChI=1S/C5H8F5NO2S/c1-3(2)14(12,13)11-5(9,10)4(6,7)8/h3,11H,1-2H3
InChIKeyJUJYZJZJKCTTHW-UHFFFAOYSA-N
MW241.18 g/mol
LogP1.47
Rot. Bonds3

About N-(1,1,2,2,2-pentafluoroethyl)propane-2-sulfonamide

N-(1,1,2,2,2-pentafluoroethyl)propane-2-sulfonamide (PubChem CID 146603446) has the molecular formula C5H8F5NO2S and a molecular weight of 241.18 g/mol. Its IUPAC name is N-(1,1,2,2,2-pentafluoroethyl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(1,1,2,2,2-pentafluoroethyl)propane-2-sulfonamide
PubChem CID146603446
Molecular FormulaC5H8F5NO2S
Molecular Weight241.18 g/mol
Exact Mass241.02
IUPAC NameN-(1,1,2,2,2-pentafluoroethyl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC(F)(F)C(F)(F)F
InChIInChI=1S/C5H8F5NO2S/c1-3(2)14(12,13)11-5(9,10)4(6,7)8/h3,11H,1-2H3
InChIKeyJUJYZJZJKCTTHW-UHFFFAOYSA-N
XLogP1.47
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.18
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1,1,2,2,2-pentafluoroethyl)propane-2-sulfonamide?
The IUPAC name of N-(1,1,2,2,2-pentafluoroethyl)propane-2-sulfonamide (CID 146603446) is N-(1,1,2,2,2-pentafluoroethyl)propane-2-sulfonamide.
What is the SMILES notation for N-(1,1,2,2,2-pentafluoroethyl)propane-2-sulfonamide?
The canonical SMILES for N-(1,1,2,2,2-pentafluoroethyl)propane-2-sulfonamide is CC(C)S(=O)(=O)NC(F)(F)C(F)(F)F.
What is the InChIKey of N-(1,1,2,2,2-pentafluoroethyl)propane-2-sulfonamide?
The InChIKey is JUJYZJZJKCTTHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F5NO2S/c1-3(2)14(12,13)11-5(9,10)4(6,7)8/h3,11H,1-2H3.
What are the key properties of N-(1,1,2,2,2-pentafluoroethyl)propane-2-sulfonamide?
N-(1,1,2,2,2-pentafluoroethyl)propane-2-sulfonamide has a molecular weight of 241.18 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1,2,2,2-pentafluoroethyl)propane-2-sulfonamide is sourced from PubChem (CID 146603446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).