N-bromo-N-ethyl-2-fluoroethanesulfonamide

C4H9BrFNO2S — CID 118574531

IUPACN-bromo-N-ethyl-2-fluoroethanesulfonamide
SMILESCCN(Br)S(=O)(=O)CCF
InChIInChI=1S/C4H9BrFNO2S/c1-2-7(5)10(8,9)4-3-6/h2-4H2,1H3
InChIKeyKFSWZRFEXBNXPZ-UHFFFAOYSA-N
MW234.09 g/mol
LogP0.92
Rot. Bonds4

About N-bromo-N-ethyl-2-fluoroethanesulfonamide

N-bromo-N-ethyl-2-fluoroethanesulfonamide (PubChem CID 118574531) has the molecular formula C4H9BrFNO2S and a molecular weight of 234.09 g/mol. Its IUPAC name is N-bromo-N-ethyl-2-fluoroethanesulfonamide.

Molecular Properties

Compound NameN-bromo-N-ethyl-2-fluoroethanesulfonamide
PubChem CID118574531
Molecular FormulaC4H9BrFNO2S
Molecular Weight234.09 g/mol
Exact Mass232.95
IUPAC NameN-bromo-N-ethyl-2-fluoroethanesulfonamide
SMILESCCN(Br)S(=O)(=O)CCF
InChIInChI=1S/C4H9BrFNO2S/c1-2-7(5)10(8,9)4-3-6/h2-4H2,1H3
InChIKeyKFSWZRFEXBNXPZ-UHFFFAOYSA-N
XLogP0.92
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.09
LogP ≤ 50.92
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-bromo-N-ethyl-2-fluoroethanesulfonamide?
The IUPAC name of N-bromo-N-ethyl-2-fluoroethanesulfonamide (CID 118574531) is N-bromo-N-ethyl-2-fluoroethanesulfonamide.
What is the SMILES notation for N-bromo-N-ethyl-2-fluoroethanesulfonamide?
The canonical SMILES for N-bromo-N-ethyl-2-fluoroethanesulfonamide is CCN(Br)S(=O)(=O)CCF.
What is the InChIKey of N-bromo-N-ethyl-2-fluoroethanesulfonamide?
The InChIKey is KFSWZRFEXBNXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9BrFNO2S/c1-2-7(5)10(8,9)4-3-6/h2-4H2,1H3.
What are the key properties of N-bromo-N-ethyl-2-fluoroethanesulfonamide?
N-bromo-N-ethyl-2-fluoroethanesulfonamide has a molecular weight of 234.09 g/mol, XLogP of 0.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-bromo-N-ethyl-2-fluoroethanesulfonamide is sourced from PubChem (CID 118574531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).