N-(2,2-difluoroethyl)propane-2-sulfonamide

C5H11F2NO2S — CID 79090167

IUPACN-(2,2-difluoroethyl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCC(F)F
InChIInChI=1S/C5H11F2NO2S/c1-4(2)11(9,10)8-3-5(6)7/h4-5,8H,3H2,1-2H3
InChIKeyHYLDUDFKWCDGSV-UHFFFAOYSA-N
MW187.21 g/mol
LogP0.58
Rot. Bonds4

About N-(2,2-difluoroethyl)propane-2-sulfonamide

N-(2,2-difluoroethyl)propane-2-sulfonamide (PubChem CID 79090167) has the molecular formula C5H11F2NO2S and a molecular weight of 187.21 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)propane-2-sulfonamide
PubChem CID79090167
Molecular FormulaC5H11F2NO2S
Molecular Weight187.21 g/mol
Exact Mass187.05
IUPAC NameN-(2,2-difluoroethyl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCC(F)F
InChIInChI=1S/C5H11F2NO2S/c1-4(2)11(9,10)8-3-5(6)7/h4-5,8H,3H2,1-2H3
InChIKeyHYLDUDFKWCDGSV-UHFFFAOYSA-N
XLogP0.58
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.21
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)propane-2-sulfonamide?
The IUPAC name of N-(2,2-difluoroethyl)propane-2-sulfonamide (CID 79090167) is N-(2,2-difluoroethyl)propane-2-sulfonamide.
What is the SMILES notation for N-(2,2-difluoroethyl)propane-2-sulfonamide?
The canonical SMILES for N-(2,2-difluoroethyl)propane-2-sulfonamide is CC(C)S(=O)(=O)NCC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)propane-2-sulfonamide?
The InChIKey is HYLDUDFKWCDGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11F2NO2S/c1-4(2)11(9,10)8-3-5(6)7/h4-5,8H,3H2,1-2H3.
What are the key properties of N-(2,2-difluoroethyl)propane-2-sulfonamide?
N-(2,2-difluoroethyl)propane-2-sulfonamide has a molecular weight of 187.21 g/mol, XLogP of 0.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)propane-2-sulfonamide is sourced from PubChem (CID 79090167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).