N-(2-bromoethyl)-N-ethyl-1,1-difluoromethanesulfonamide

C5H10BrF2NO2S — CID 80677107

IUPACN-(2-bromoethyl)-N-ethyl-1,1-difluoromethanesulfonamide
SMILESCCN(CCBr)S(=O)(=O)C(F)F
InChIInChI=1S/C5H10BrF2NO2S/c1-2-9(4-3-6)12(10,11)5(7)8/h5H,2-4H2,1H3
InChIKeyFXYXZZLFQREVKT-UHFFFAOYSA-N
MW266.11 g/mol
LogP1.26
Rot. Bonds5

About N-(2-bromoethyl)-N-ethyl-1,1-difluoromethanesulfonamide

N-(2-bromoethyl)-N-ethyl-1,1-difluoromethanesulfonamide (PubChem CID 80677107) has the molecular formula C5H10BrF2NO2S and a molecular weight of 266.11 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-ethyl-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-ethyl-1,1-difluoromethanesulfonamide
PubChem CID80677107
Molecular FormulaC5H10BrF2NO2S
Molecular Weight266.11 g/mol
Exact Mass264.96
IUPAC NameN-(2-bromoethyl)-N-ethyl-1,1-difluoromethanesulfonamide
SMILESCCN(CCBr)S(=O)(=O)C(F)F
InChIInChI=1S/C5H10BrF2NO2S/c1-2-9(4-3-6)12(10,11)5(7)8/h5H,2-4H2,1H3
InChIKeyFXYXZZLFQREVKT-UHFFFAOYSA-N
XLogP1.26
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.11
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze N-(2-bromoethyl)-N-ethyl-1,1-difluoromethanesulfonamide 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,N-Diethyl-1,1,1-trifluoromethanesulfonamide
CID 17751979
N-diethyldifluoromethanesulfonamide
CID 58436046
N-ethyl-N-(2,2,2-trifluoroethyl)methanesulfonamide
CID 60758960
N-methyl-N-(2,2,2-trifluoroethyl)methanesulfonamide
CID 60762994
N-(2,2-difluoroethyl)-N-methylmethanesulfonamide
CID 89145475
N-(difluoromethyl)-N-ethylmethanesulfonamide
CID 164554315
n,n-Bis(2-fluoroethyl)methanesulfonamide
CID 252676
N-(2-bromoethyl)-N-butyl-1,1-difluoromethanesulfonamide
CID 80668716
N-(2-bromoethyl)-1,1-difluoro-N-methylmethanesulfonamide
CID 80669435
N-(2-bromopropyl)-1,1-difluoro-N-methylmethanesulfonamide
CID 80670651
N-(2-bromoethyl)-1,1-difluoro-N-propan-2-ylmethanesulfonamide
CID 80671401
N-(3-bromopropyl)-1,1-difluoro-N-propan-2-ylmethanesulfonamide
CID 80672941

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-ethyl-1,1-difluoromethanesulfonamide?
The IUPAC name of N-(2-bromoethyl)-N-ethyl-1,1-difluoromethanesulfonamide (CID 80677107) is N-(2-bromoethyl)-N-ethyl-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-(2-bromoethyl)-N-ethyl-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-(2-bromoethyl)-N-ethyl-1,1-difluoromethanesulfonamide is CCN(CCBr)S(=O)(=O)C(F)F.
What is the InChIKey of N-(2-bromoethyl)-N-ethyl-1,1-difluoromethanesulfonamide?
The InChIKey is FXYXZZLFQREVKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10BrF2NO2S/c1-2-9(4-3-6)12(10,11)5(7)8/h5H,2-4H2,1H3.
What are the key properties of N-(2-bromoethyl)-N-ethyl-1,1-difluoromethanesulfonamide?
N-(2-bromoethyl)-N-ethyl-1,1-difluoromethanesulfonamide has a molecular weight of 266.11 g/mol, XLogP of 1.26, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-ethyl-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 80677107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).