N-[2-(2-bromo-5-fluorophenoxy)ethyl]-N-methylethanesulfonamide

C11H15BrFNO3S — CID 167826342

IUPACN-[2-(2-bromo-5-fluorophenoxy)ethyl]-N-methylethanesulfonamide
SMILESCCS(=O)(=O)N(C)CCOc1cc(F)ccc1Br
InChIInChI=1S/C11H15BrFNO3S/c1-3-18(15,16)14(2)6-7-17-11-8-9(13)4-5-10(11)12/h4-5,8H,3,6-7H2,1-2H3
InChIKeyHQIVPGIWXPHZLL-UHFFFAOYSA-N
MW340.21 g/mol
LogP2.25
Rot. Bonds6

About N-[2-(2-bromo-5-fluorophenoxy)ethyl]-N-methylethanesulfonamide

N-[2-(2-bromo-5-fluorophenoxy)ethyl]-N-methylethanesulfonamide (PubChem CID 167826342) has the molecular formula C11H15BrFNO3S and a molecular weight of 340.21 g/mol. Its IUPAC name is N-[2-(2-bromo-5-fluorophenoxy)ethyl]-N-methylethanesulfonamide.

Molecular Properties

Compound NameN-[2-(2-bromo-5-fluorophenoxy)ethyl]-N-methylethanesulfonamide
PubChem CID167826342
Molecular FormulaC11H15BrFNO3S
Molecular Weight340.21 g/mol
Exact Mass338.99
IUPAC NameN-[2-(2-bromo-5-fluorophenoxy)ethyl]-N-methylethanesulfonamide
SMILESCCS(=O)(=O)N(C)CCOc1cc(F)ccc1Br
InChIInChI=1S/C11H15BrFNO3S/c1-3-18(15,16)14(2)6-7-17-11-8-9(13)4-5-10(11)12/h4-5,8H,3,6-7H2,1-2H3
InChIKeyHQIVPGIWXPHZLL-UHFFFAOYSA-N
XLogP2.25
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.21
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[2-(2-bromo-5-fluorophenoxy)ethyl]-N-methylethanesulfonamide 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-[2-(4-fluorophenoxy)ethyl]-N-methylethanesulfonamide
CID 61363430
N-[2-(4-fluorophenoxy)ethyl]-N-methylpropane-1-sulfonamide
CID 61383893
2-bromo-N-(2-ethoxyethyl)-4-fluoro-N-methylbenzenesulfonamide
CID 81062736
1-bromo-N-[2-(4-fluorophenoxy)ethyl]-N-methylmethanesulfonamide
CID 83093376
tert-butyl 3-(2-bromo-5-fluorophenoxy)propanoate
CID 116659251
6-(2-bromo-5-fluorophenoxy)hexan-1-ol
CID 103867953
4-bromo-N,N-bis(2-hydroxyethyl)-3-propoxybenzenesulfonamide
CID 50876357
4-[2-(2-bromo-4-fluorophenoxy)ethoxy]-N,N-dimethylbenzenesulfonamide
CID 39601918
4-bromo-3-propoxybenzenesulfonyl chloride
CID 50876046
1-bromo-N-[2-(2-chlorophenoxy)ethyl]-N-methylmethanesulfonamide
CID 83084968
N-[2-(2,5-dimethylphenoxy)ethyl]-4-fluoro-N-methylbenzenesulfonamide
CID 112787894
2-(2-bromo-5-fluorophenoxy)acetamide
CID 81494596

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromo-5-fluorophenoxy)ethyl]-N-methylethanesulfonamide?
The IUPAC name of N-[2-(2-bromo-5-fluorophenoxy)ethyl]-N-methylethanesulfonamide (CID 167826342) is N-[2-(2-bromo-5-fluorophenoxy)ethyl]-N-methylethanesulfonamide.
What is the SMILES notation for N-[2-(2-bromo-5-fluorophenoxy)ethyl]-N-methylethanesulfonamide?
The canonical SMILES for N-[2-(2-bromo-5-fluorophenoxy)ethyl]-N-methylethanesulfonamide is CCS(=O)(=O)N(C)CCOc1cc(F)ccc1Br.
What is the InChIKey of N-[2-(2-bromo-5-fluorophenoxy)ethyl]-N-methylethanesulfonamide?
The InChIKey is HQIVPGIWXPHZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrFNO3S/c1-3-18(15,16)14(2)6-7-17-11-8-9(13)4-5-10(11)12/h4-5,8H,3,6-7H2,1-2H3.
What are the key properties of N-[2-(2-bromo-5-fluorophenoxy)ethyl]-N-methylethanesulfonamide?
N-[2-(2-bromo-5-fluorophenoxy)ethyl]-N-methylethanesulfonamide has a molecular weight of 340.21 g/mol, XLogP of 2.25, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromo-5-fluorophenoxy)ethyl]-N-methylethanesulfonamide is sourced from PubChem (CID 167826342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).