N-bromo-N-ethyl-1-fluoromethanesulfonamide

C3H7BrFNO2S — CID 118574433

IUPACN-bromo-N-ethyl-1-fluoromethanesulfonamide
SMILESCCN(Br)S(=O)(=O)CF
InChIInChI=1S/C3H7BrFNO2S/c1-2-6(4)9(7,8)3-5/h2-3H2,1H3
InChIKeyNFISWTHICGCKIO-UHFFFAOYSA-N
MW220.06 g/mol
LogP0.88
Rot. Bonds3

About N-bromo-N-ethyl-1-fluoromethanesulfonamide

N-bromo-N-ethyl-1-fluoromethanesulfonamide (PubChem CID 118574433) has the molecular formula C3H7BrFNO2S and a molecular weight of 220.06 g/mol. Its IUPAC name is N-bromo-N-ethyl-1-fluoromethanesulfonamide.

Molecular Properties

Compound NameN-bromo-N-ethyl-1-fluoromethanesulfonamide
PubChem CID118574433
Molecular FormulaC3H7BrFNO2S
Molecular Weight220.06 g/mol
Exact Mass218.94
IUPAC NameN-bromo-N-ethyl-1-fluoromethanesulfonamide
SMILESCCN(Br)S(=O)(=O)CF
InChIInChI=1S/C3H7BrFNO2S/c1-2-6(4)9(7,8)3-5/h2-3H2,1H3
InChIKeyNFISWTHICGCKIO-UHFFFAOYSA-N
XLogP0.88
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.06
LogP ≤ 50.88
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-1-fluoromethanesulfonamide?
The IUPAC name of N-bromo-N-ethyl-1-fluoromethanesulfonamide (CID 118574433) is N-bromo-N-ethyl-1-fluoromethanesulfonamide.
What is the SMILES notation for N-bromo-N-ethyl-1-fluoromethanesulfonamide?
The canonical SMILES for N-bromo-N-ethyl-1-fluoromethanesulfonamide is CCN(Br)S(=O)(=O)CF.
What is the InChIKey of N-bromo-N-ethyl-1-fluoromethanesulfonamide?
The InChIKey is NFISWTHICGCKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7BrFNO2S/c1-2-6(4)9(7,8)3-5/h2-3H2,1H3.
What are the key properties of N-bromo-N-ethyl-1-fluoromethanesulfonamide?
N-bromo-N-ethyl-1-fluoromethanesulfonamide has a molecular weight of 220.06 g/mol, XLogP of 0.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-bromo-N-ethyl-1-fluoromethanesulfonamide is sourced from PubChem (CID 118574433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).