2-fluoro-N-iodo-N-propylethanesulfonamide

C5H11FINO2S — CID 118574682

IUPAC2-fluoro-N-iodo-N-propylethanesulfonamide
SMILESCCCN(I)S(=O)(=O)CCF
InChIInChI=1S/C5H11FINO2S/c1-2-4-8(7)11(9,10)5-3-6/h2-5H2,1H3
InChIKeyFWUWSNQZRVSKDM-UHFFFAOYSA-N
MW295.12 g/mol
LogP1.35
Rot. Bonds5

About 2-fluoro-N-iodo-N-propylethanesulfonamide

2-fluoro-N-iodo-N-propylethanesulfonamide (PubChem CID 118574682) has the molecular formula C5H11FINO2S and a molecular weight of 295.12 g/mol. Its IUPAC name is 2-fluoro-N-iodo-N-propylethanesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-iodo-N-propylethanesulfonamide
PubChem CID118574682
Molecular FormulaC5H11FINO2S
Molecular Weight295.12 g/mol
Exact Mass294.95
IUPAC Name2-fluoro-N-iodo-N-propylethanesulfonamide
SMILESCCCN(I)S(=O)(=O)CCF
InChIInChI=1S/C5H11FINO2S/c1-2-4-8(7)11(9,10)5-3-6/h2-5H2,1H3
InChIKeyFWUWSNQZRVSKDM-UHFFFAOYSA-N
XLogP1.35
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.12
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-fluoro-N-iodo-N-propylethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-bromo-N-butyl-2-fluoroethanesulfonamide
CID 118574424
N-bromo-2-fluoro-N-propylethanesulfonamide
CID 118574445
N-ethyl-N,2-difluoroethanesulfonamide
CID 118574450
N-fluoro-N-propylpropane-1-sulfonamide
CID 118574466
N,2-difluoro-N-propylethanesulfonamide
CID 118574475
N-chloro-N-ethyl-2-fluoroethanesulfonamide
CID 118574501
N-ethyl-N-fluoroethanesulfonamide
CID 118574506
N-chloro-2-fluoro-N-propylethanesulfonamide
CID 118574524
N-bromo-N-ethyl-2-fluoroethanesulfonamide
CID 118574531
N-fluoro-N-propylethanesulfonamide
CID 118574582
N-ethyl-2-fluoro-N-iodoethanesulfonamide
CID 118574586
1-fluoro-N-iodo-N-propylmethanesulfonamide
CID 118574597

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-iodo-N-propylethanesulfonamide?
The IUPAC name of 2-fluoro-N-iodo-N-propylethanesulfonamide (CID 118574682) is 2-fluoro-N-iodo-N-propylethanesulfonamide.
What is the SMILES notation for 2-fluoro-N-iodo-N-propylethanesulfonamide?
The canonical SMILES for 2-fluoro-N-iodo-N-propylethanesulfonamide is CCCN(I)S(=O)(=O)CCF.
What is the InChIKey of 2-fluoro-N-iodo-N-propylethanesulfonamide?
The InChIKey is FWUWSNQZRVSKDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11FINO2S/c1-2-4-8(7)11(9,10)5-3-6/h2-5H2,1H3.
What are the key properties of 2-fluoro-N-iodo-N-propylethanesulfonamide?
2-fluoro-N-iodo-N-propylethanesulfonamide has a molecular weight of 295.12 g/mol, XLogP of 1.35, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-iodo-N-propylethanesulfonamide is sourced from PubChem (CID 118574682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).