2-chloro-N-fluoro-N-propylethanesulfonamide

C5H11ClFNO2S — CID 57124858

IUPAC2-chloro-N-fluoro-N-propylethanesulfonamide
SMILESCCCN(F)S(=O)(=O)CCCl
InChIInChI=1S/C5H11ClFNO2S/c1-2-4-8(7)11(9,10)5-3-6/h2-5H2,1H3
InChIKeyNICAMLFUWACRBW-UHFFFAOYSA-N
MW203.67 g/mol
LogP1.15
Rot. Bonds5

About 2-chloro-N-fluoro-N-propylethanesulfonamide

2-chloro-N-fluoro-N-propylethanesulfonamide (PubChem CID 57124858) has the molecular formula C5H11ClFNO2S and a molecular weight of 203.67 g/mol. Its IUPAC name is 2-chloro-N-fluoro-N-propylethanesulfonamide.

Molecular Properties

Compound Name2-chloro-N-fluoro-N-propylethanesulfonamide
PubChem CID57124858
Molecular FormulaC5H11ClFNO2S
Molecular Weight203.67 g/mol
Exact Mass203.02
IUPAC Name2-chloro-N-fluoro-N-propylethanesulfonamide
SMILESCCCN(F)S(=O)(=O)CCCl
InChIInChI=1S/C5H11ClFNO2S/c1-2-4-8(7)11(9,10)5-3-6/h2-5H2,1H3
InChIKeyNICAMLFUWACRBW-UHFFFAOYSA-N
XLogP1.15
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.67
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-fluoro-N-propylethanesulfonamide?
The IUPAC name of 2-chloro-N-fluoro-N-propylethanesulfonamide (CID 57124858) is 2-chloro-N-fluoro-N-propylethanesulfonamide.
What is the SMILES notation for 2-chloro-N-fluoro-N-propylethanesulfonamide?
The canonical SMILES for 2-chloro-N-fluoro-N-propylethanesulfonamide is CCCN(F)S(=O)(=O)CCCl.
What is the InChIKey of 2-chloro-N-fluoro-N-propylethanesulfonamide?
The InChIKey is NICAMLFUWACRBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11ClFNO2S/c1-2-4-8(7)11(9,10)5-3-6/h2-5H2,1H3.
What are the key properties of 2-chloro-N-fluoro-N-propylethanesulfonamide?
2-chloro-N-fluoro-N-propylethanesulfonamide has a molecular weight of 203.67 g/mol, XLogP of 1.15, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-fluoro-N-propylethanesulfonamide is sourced from PubChem (CID 57124858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).