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

C5H10F3NO3S — CID 82715927

IUPACN-(2,2,2-trifluoroethoxy)propane-1-sulfonamide
SMILESCCCS(=O)(=O)NOCC(F)(F)F
InChIInChI=1S/C5H10F3NO3S/c1-2-3-13(10,11)9-12-4-5(6,7)8/h9H,2-4H2,1H3
InChIKeyLSMJPIGWBGBVHX-UHFFFAOYSA-N
MW221.20 g/mol
LogP0.81
Rot. Bonds5

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

N-(2,2,2-trifluoroethoxy)propane-1-sulfonamide (PubChem CID 82715927) has the molecular formula C5H10F3NO3S and a molecular weight of 221.20 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethoxy)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethoxy)propane-1-sulfonamide
PubChem CID82715927
Molecular FormulaC5H10F3NO3S
Molecular Weight221.20 g/mol
Exact Mass221.03
IUPAC NameN-(2,2,2-trifluoroethoxy)propane-1-sulfonamide
SMILESCCCS(=O)(=O)NOCC(F)(F)F
InChIInChI=1S/C5H10F3NO3S/c1-2-3-13(10,11)9-12-4-5(6,7)8/h9H,2-4H2,1H3
InChIKeyLSMJPIGWBGBVHX-UHFFFAOYSA-N
XLogP0.81
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.20
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethoxy)propane-1-sulfonamide?
The IUPAC name of N-(2,2,2-trifluoroethoxy)propane-1-sulfonamide (CID 82715927) is N-(2,2,2-trifluoroethoxy)propane-1-sulfonamide.
What is the SMILES notation for N-(2,2,2-trifluoroethoxy)propane-1-sulfonamide?
The canonical SMILES for N-(2,2,2-trifluoroethoxy)propane-1-sulfonamide is CCCS(=O)(=O)NOCC(F)(F)F.
What is the InChIKey of N-(2,2,2-trifluoroethoxy)propane-1-sulfonamide?
The InChIKey is LSMJPIGWBGBVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F3NO3S/c1-2-3-13(10,11)9-12-4-5(6,7)8/h9H,2-4H2,1H3.
What are the key properties of N-(2,2,2-trifluoroethoxy)propane-1-sulfonamide?
N-(2,2,2-trifluoroethoxy)propane-1-sulfonamide has a molecular weight of 221.20 g/mol, XLogP of 0.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethoxy)propane-1-sulfonamide is sourced from PubChem (CID 82715927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).