N-chloro-2-fluoro-N-propylethanesulfonamide

C5H11ClFNO2S — CID 118574524

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

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

N-chloro-2-fluoro-N-propylethanesulfonamide (PubChem CID 118574524) has the molecular formula C5H11ClFNO2S and a molecular weight of 203.67 g/mol. Its IUPAC name is N-chloro-2-fluoro-N-propylethanesulfonamide.

Molecular Properties

Compound NameN-chloro-2-fluoro-N-propylethanesulfonamide
PubChem CID118574524
Molecular FormulaC5H11ClFNO2S
Molecular Weight203.67 g/mol
Exact Mass203.02
IUPAC NameN-chloro-2-fluoro-N-propylethanesulfonamide
SMILESCCCN(Cl)S(=O)(=O)CCF
InChIInChI=1S/C5H11ClFNO2S/c1-2-4-8(6)11(9,10)5-3-7/h2-5H2,1H3
InChIKeyYLPYNQLCHJJJMY-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': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

N-bromo-N-butyl-2-fluoroethanesulfonamide
CID 118574424
N-chloro-1-fluoro-N-propylmethanesulfonamide
CID 118574434
N-bromo-2-fluoro-N-propylethanesulfonamide
CID 118574445
N-fluoro-N-propylpropane-1-sulfonamide
CID 118574466
N,2-difluoro-N-propylethanesulfonamide
CID 118574475
N-chloro-N-ethyl-2-fluoroethanesulfonamide
CID 118574501
N-fluoro-N-propylethanesulfonamide
CID 118574582
N-ethyl-2-fluoro-N-iodoethanesulfonamide
CID 118574586
N-ethyl-N-fluoropropane-1-sulfonamide
CID 118574669
2-fluoro-N-iodo-N-propylethanesulfonamide
CID 118574682
N-chloro-N-methylbutanesulfonamide
CID 13614819
N-chloro-N-ethylethanesulfonamide
CID 88427481

Frequently Asked Questions

What is the IUPAC name of N-chloro-2-fluoro-N-propylethanesulfonamide?
The IUPAC name of N-chloro-2-fluoro-N-propylethanesulfonamide (CID 118574524) is N-chloro-2-fluoro-N-propylethanesulfonamide.
What is the SMILES notation for N-chloro-2-fluoro-N-propylethanesulfonamide?
The canonical SMILES for N-chloro-2-fluoro-N-propylethanesulfonamide is CCCN(Cl)S(=O)(=O)CCF.
What is the InChIKey of N-chloro-2-fluoro-N-propylethanesulfonamide?
The InChIKey is YLPYNQLCHJJJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11ClFNO2S/c1-2-4-8(6)11(9,10)5-3-7/h2-5H2,1H3.
What are the key properties of N-chloro-2-fluoro-N-propylethanesulfonamide?
N-chloro-2-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 N-chloro-2-fluoro-N-propylethanesulfonamide is sourced from PubChem (CID 118574524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).