N,2-difluoro-N-propylethanesulfonamide

C5H11F2NO2S — CID 118574475

IUPACN,2-difluoro-N-propylethanesulfonamide
SMILESCCCN(F)S(=O)(=O)CCF
InChIInChI=1S/C5H11F2NO2S/c1-2-4-8(7)11(9,10)5-3-6/h2-5H2,1H3
InChIKeyHBXUGNJGIBMZQL-UHFFFAOYSA-N
MW187.21 g/mol
LogP0.88
Rot. Bonds5

About N,2-difluoro-N-propylethanesulfonamide

N,2-difluoro-N-propylethanesulfonamide (PubChem CID 118574475) has the molecular formula C5H11F2NO2S and a molecular weight of 187.21 g/mol. Its IUPAC name is N,2-difluoro-N-propylethanesulfonamide.

Molecular Properties

Compound NameN,2-difluoro-N-propylethanesulfonamide
PubChem CID118574475
Molecular FormulaC5H11F2NO2S
Molecular Weight187.21 g/mol
Exact Mass187.05
IUPAC NameN,2-difluoro-N-propylethanesulfonamide
SMILESCCCN(F)S(=O)(=O)CCF
InChIInChI=1S/C5H11F2NO2S/c1-2-4-8(7)11(9,10)5-3-6/h2-5H2,1H3
InChIKeyHBXUGNJGIBMZQL-UHFFFAOYSA-N
XLogP0.88
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.21
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,2-difluoro-N-propylethanesulfonamide?
The IUPAC name of N,2-difluoro-N-propylethanesulfonamide (CID 118574475) is N,2-difluoro-N-propylethanesulfonamide.
What is the SMILES notation for N,2-difluoro-N-propylethanesulfonamide?
The canonical SMILES for N,2-difluoro-N-propylethanesulfonamide is CCCN(F)S(=O)(=O)CCF.
What is the InChIKey of N,2-difluoro-N-propylethanesulfonamide?
The InChIKey is HBXUGNJGIBMZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11F2NO2S/c1-2-4-8(7)11(9,10)5-3-6/h2-5H2,1H3.
What are the key properties of N,2-difluoro-N-propylethanesulfonamide?
N,2-difluoro-N-propylethanesulfonamide has a molecular weight of 187.21 g/mol, XLogP of 0.88, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-difluoro-N-propylethanesulfonamide is sourced from PubChem (CID 118574475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).