2-[2-(5-bromo-2-fluorophenoxy)ethoxy]ethanesulfonamide

C10H13BrFNO4S — CID 114677162

IUPAC2-[2-(5-bromo-2-fluorophenoxy)ethoxy]ethanesulfonamide
SMILESNS(=O)(=O)CCOCCOc1cc(Br)ccc1F
InChIInChI=1S/C10H13BrFNO4S/c11-8-1-2-9(12)10(7-8)17-4-3-16-5-6-18(13,14)15/h1-2,7H,3-6H2,(H2,13,14,15)
InChIKeyDYEXFAUGLQWHLW-UHFFFAOYSA-N
MW342.19 g/mol
LogP1.27
Rot. Bonds7

About 2-[2-(5-bromo-2-fluorophenoxy)ethoxy]ethanesulfonamide

2-[2-(5-bromo-2-fluorophenoxy)ethoxy]ethanesulfonamide (PubChem CID 114677162) has the molecular formula C10H13BrFNO4S and a molecular weight of 342.19 g/mol. Its IUPAC name is 2-[2-(5-bromo-2-fluorophenoxy)ethoxy]ethanesulfonamide.

Molecular Properties

Compound Name2-[2-(5-bromo-2-fluorophenoxy)ethoxy]ethanesulfonamide
PubChem CID114677162
Molecular FormulaC10H13BrFNO4S
Molecular Weight342.19 g/mol
Exact Mass340.97
IUPAC Name2-[2-(5-bromo-2-fluorophenoxy)ethoxy]ethanesulfonamide
SMILESNS(=O)(=O)CCOCCOc1cc(Br)ccc1F
InChIInChI=1S/C10H13BrFNO4S/c11-8-1-2-9(12)10(7-8)17-4-3-16-5-6-18(13,14)15/h1-2,7H,3-6H2,(H2,13,14,15)
InChIKeyDYEXFAUGLQWHLW-UHFFFAOYSA-N
XLogP1.27
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.19
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-1-fluoro-2-(3-methylsulfonylpropoxy)benzene
CID 115918306
4-bromo-2-(2-butoxyethoxy)-1-fluorobenzene
CID 115919154
4-bromo-1-fluoro-2-(2-fluoroethoxy)benzene
CID 86627693
2-[2-(4-bromo-5-fluoro-2-nitrophenoxy)ethoxy]ethanesulfonamide
CID 103484224
[4-[2-(5-bromo-2-fluorophenoxy)ethoxy]phenyl]methanamine
CID 114671943
4-bromo-2-but-3-ynoxy-1-fluorobenzene
CID 115918428
4-bromo-2-(3,3-dimethylbutoxy)-1-fluorobenzene
CID 114672544
2-(5-bromo-2-fluorophenoxy)acetaldehyde
CID 114674078
hydrazinyl 3-(5-bromo-2-fluorophenoxy)propanoate
CID 114677081
4-bromo-2-(ethoxymethoxy)-1-fluorobenzene
CID 114672897
3-(5-bromo-2-fluorophenoxy)-1-(4-fluorophenyl)propan-1-one
CID 114674148
5-amino-2-(5-bromo-2-fluorophenoxy)benzenesulfonamide
CID 114671687

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-bromo-2-fluorophenoxy)ethoxy]ethanesulfonamide?
The IUPAC name of 2-[2-(5-bromo-2-fluorophenoxy)ethoxy]ethanesulfonamide (CID 114677162) is 2-[2-(5-bromo-2-fluorophenoxy)ethoxy]ethanesulfonamide.
What is the SMILES notation for 2-[2-(5-bromo-2-fluorophenoxy)ethoxy]ethanesulfonamide?
The canonical SMILES for 2-[2-(5-bromo-2-fluorophenoxy)ethoxy]ethanesulfonamide is NS(=O)(=O)CCOCCOc1cc(Br)ccc1F.
What is the InChIKey of 2-[2-(5-bromo-2-fluorophenoxy)ethoxy]ethanesulfonamide?
The InChIKey is DYEXFAUGLQWHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrFNO4S/c11-8-1-2-9(12)10(7-8)17-4-3-16-5-6-18(13,14)15/h1-2,7H,3-6H2,(H2,13,14,15).
What are the key properties of 2-[2-(5-bromo-2-fluorophenoxy)ethoxy]ethanesulfonamide?
2-[2-(5-bromo-2-fluorophenoxy)ethoxy]ethanesulfonamide has a molecular weight of 342.19 g/mol, XLogP of 1.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-bromo-2-fluorophenoxy)ethoxy]ethanesulfonamide is sourced from PubChem (CID 114677162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).