N-[2-(4-fluorophenoxy)ethyl]-N-methylethanesulfonamide

C11H16FNO3S — CID 61363430

IUPACN-[2-(4-fluorophenoxy)ethyl]-N-methylethanesulfonamide
SMILESCCS(=O)(=O)N(C)CCOc1ccc(F)cc1
InChIInChI=1S/C11H16FNO3S/c1-3-17(14,15)13(2)8-9-16-11-6-4-10(12)5-7-11/h4-7H,3,8-9H2,1-2H3
InChIKeyVVEHZGIHOYQYQR-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.49
Rot. Bonds6

About N-[2-(4-fluorophenoxy)ethyl]-N-methylethanesulfonamide

N-[2-(4-fluorophenoxy)ethyl]-N-methylethanesulfonamide (PubChem CID 61363430) has the molecular formula C11H16FNO3S and a molecular weight of 261.32 g/mol. Its IUPAC name is N-[2-(4-fluorophenoxy)ethyl]-N-methylethanesulfonamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenoxy)ethyl]-N-methylethanesulfonamide
PubChem CID61363430
Molecular FormulaC11H16FNO3S
Molecular Weight261.32 g/mol
Exact Mass261.08
IUPAC NameN-[2-(4-fluorophenoxy)ethyl]-N-methylethanesulfonamide
SMILESCCS(=O)(=O)N(C)CCOc1ccc(F)cc1
InChIInChI=1S/C11H16FNO3S/c1-3-17(14,15)13(2)8-9-16-11-6-4-10(12)5-7-11/h4-7H,3,8-9H2,1-2H3
InChIKeyVVEHZGIHOYQYQR-UHFFFAOYSA-N
XLogP1.49
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-fluorophenoxy)ethyl]-N-methylpropane-1-sulfonamide
CID 61383893
1-bromo-N-[2-(4-fluorophenoxy)ethyl]-N-methylmethanesulfonamide
CID 83093376
4-cyano-N-[2-(4-fluorophenoxy)ethyl]-N-methylbenzenesulfonamide
CID 26544726
2-cyano-N-[2-(4-fluorophenoxy)ethyl]-N-methylbenzenesulfonamide
CID 26544727
4-fluoro-N-[3-(4-fluorophenoxy)propyl]-N-methylbenzenesulfonamide
CID 60602045
N-[2-(2-bromo-5-fluorophenoxy)ethyl]-N-methylethanesulfonamide
CID 167826342
N,N-diethyl-2-(4-fluorophenoxy)ethanamine
CID 867210
N-[2-(4-fluorophenoxy)ethyl]-N,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 60912110
N-[2-(4-fluorophenoxy)ethyl]-N-methylhexanamide
CID 86909745
2-(4-fluorophenoxy)-N-methyl-N-(2-pyridin-4-ylethyl)ethanesulfonamide
CID 110299926
2,4-difluoro-N-[3-(4-fluorophenoxy)propyl]-N-methylbenzenesulfonamide
CID 78870952
N-butyl-4-(4-fluorophenoxy)-N-methylbutanamide
CID 110487595

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenoxy)ethyl]-N-methylethanesulfonamide?
The IUPAC name of N-[2-(4-fluorophenoxy)ethyl]-N-methylethanesulfonamide (CID 61363430) is N-[2-(4-fluorophenoxy)ethyl]-N-methylethanesulfonamide.
What is the SMILES notation for N-[2-(4-fluorophenoxy)ethyl]-N-methylethanesulfonamide?
The canonical SMILES for N-[2-(4-fluorophenoxy)ethyl]-N-methylethanesulfonamide is CCS(=O)(=O)N(C)CCOc1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenoxy)ethyl]-N-methylethanesulfonamide?
The InChIKey is VVEHZGIHOYQYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO3S/c1-3-17(14,15)13(2)8-9-16-11-6-4-10(12)5-7-11/h4-7H,3,8-9H2,1-2H3.
What are the key properties of N-[2-(4-fluorophenoxy)ethyl]-N-methylethanesulfonamide?
N-[2-(4-fluorophenoxy)ethyl]-N-methylethanesulfonamide has a molecular weight of 261.32 g/mol, XLogP of 1.49, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenoxy)ethyl]-N-methylethanesulfonamide is sourced from PubChem (CID 61363430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).