N-ethyl-1-fluoro-N-iodomethanesulfonamide

C3H7FINO2S — CID 118574544

IUPACN-ethyl-1-fluoro-N-iodomethanesulfonamide
SMILESCCN(I)S(=O)(=O)CF
InChIInChI=1S/C3H7FINO2S/c1-2-6(5)9(7,8)3-4/h2-3H2,1H3
InChIKeyALAXMVHDEFMHND-UHFFFAOYSA-N
MW267.06 g/mol
LogP0.92
Rot. Bonds3

About N-ethyl-1-fluoro-N-iodomethanesulfonamide

N-ethyl-1-fluoro-N-iodomethanesulfonamide (PubChem CID 118574544) has the molecular formula C3H7FINO2S and a molecular weight of 267.06 g/mol. Its IUPAC name is N-ethyl-1-fluoro-N-iodomethanesulfonamide.

Molecular Properties

Compound NameN-ethyl-1-fluoro-N-iodomethanesulfonamide
PubChem CID118574544
Molecular FormulaC3H7FINO2S
Molecular Weight267.06 g/mol
Exact Mass266.92
IUPAC NameN-ethyl-1-fluoro-N-iodomethanesulfonamide
SMILESCCN(I)S(=O)(=O)CF
InChIInChI=1S/C3H7FINO2S/c1-2-6(5)9(7,8)3-4/h2-3H2,1H3
InChIKeyALAXMVHDEFMHND-UHFFFAOYSA-N
XLogP0.92
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.06
LogP ≤ 50.92
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 N-ethyl-1-fluoro-N-iodomethanesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-fluoro-N-iodomethanesulfonamide?
The IUPAC name of N-ethyl-1-fluoro-N-iodomethanesulfonamide (CID 118574544) is N-ethyl-1-fluoro-N-iodomethanesulfonamide.
What is the SMILES notation for N-ethyl-1-fluoro-N-iodomethanesulfonamide?
The canonical SMILES for N-ethyl-1-fluoro-N-iodomethanesulfonamide is CCN(I)S(=O)(=O)CF.
What is the InChIKey of N-ethyl-1-fluoro-N-iodomethanesulfonamide?
The InChIKey is ALAXMVHDEFMHND-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7FINO2S/c1-2-6(5)9(7,8)3-4/h2-3H2,1H3.
What are the key properties of N-ethyl-1-fluoro-N-iodomethanesulfonamide?
N-ethyl-1-fluoro-N-iodomethanesulfonamide has a molecular weight of 267.06 g/mol, XLogP of 0.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-fluoro-N-iodomethanesulfonamide is sourced from PubChem (CID 118574544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).