N-[2-(4-fluorophenoxy)ethyl]-N-methylpropane-1-sulfonamide

C12H18FNO3S — CID 61383893

IUPACN-[2-(4-fluorophenoxy)ethyl]-N-methylpropane-1-sulfonamide
SMILESCCCS(=O)(=O)N(C)CCOc1ccc(F)cc1
InChIInChI=1S/C12H18FNO3S/c1-3-10-18(15,16)14(2)8-9-17-12-6-4-11(13)5-7-12/h4-7H,3,8-10H2,1-2H3
InChIKeyGSBGBSHPGBWKKP-UHFFFAOYSA-N
MW275.34 g/mol
LogP1.88
Rot. Bonds7

About N-[2-(4-fluorophenoxy)ethyl]-N-methylpropane-1-sulfonamide

N-[2-(4-fluorophenoxy)ethyl]-N-methylpropane-1-sulfonamide (PubChem CID 61383893) has the molecular formula C12H18FNO3S and a molecular weight of 275.34 g/mol. Its IUPAC name is N-[2-(4-fluorophenoxy)ethyl]-N-methylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenoxy)ethyl]-N-methylpropane-1-sulfonamide
PubChem CID61383893
Molecular FormulaC12H18FNO3S
Molecular Weight275.34 g/mol
Exact Mass275.10
IUPAC NameN-[2-(4-fluorophenoxy)ethyl]-N-methylpropane-1-sulfonamide
SMILESCCCS(=O)(=O)N(C)CCOc1ccc(F)cc1
InChIInChI=1S/C12H18FNO3S/c1-3-10-18(15,16)14(2)8-9-17-12-6-4-11(13)5-7-12/h4-7H,3,8-10H2,1-2H3
InChIKeyGSBGBSHPGBWKKP-UHFFFAOYSA-N
XLogP1.88
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-fluorophenoxy)ethyl]-N-methylethanesulfonamide
CID 61363430
1-bromo-N-[2-(4-fluorophenoxy)ethyl]-N-methylmethanesulfonamide
CID 83093376
N-[2-(3-chlorophenoxy)ethyl]-N-methylpropane-1-sulfonamide
CID 61383903
4-cyano-N-[2-(4-fluorophenoxy)ethyl]-N-methylbenzenesulfonamide
CID 26544726
2-(4-fluorophenoxy)-N-methyl-N-(2-pyridin-4-ylethyl)ethanesulfonamide
CID 110299926
4-fluoro-N-[3-(4-fluorophenoxy)propyl]-N-methylbenzenesulfonamide
CID 60602045
2-cyano-N-[2-(4-fluorophenoxy)ethyl]-N-methylbenzenesulfonamide
CID 26544727
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
3-[2-(4-methoxyphenoxy)ethyl-methylsulfamoyl]propanoic acid
CID 60949142
N-[2-(2-bromo-5-fluorophenoxy)ethyl]-N-methylethanesulfonamide
CID 167826342

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenoxy)ethyl]-N-methylpropane-1-sulfonamide?
The IUPAC name of N-[2-(4-fluorophenoxy)ethyl]-N-methylpropane-1-sulfonamide (CID 61383893) is N-[2-(4-fluorophenoxy)ethyl]-N-methylpropane-1-sulfonamide.
What is the SMILES notation for N-[2-(4-fluorophenoxy)ethyl]-N-methylpropane-1-sulfonamide?
The canonical SMILES for N-[2-(4-fluorophenoxy)ethyl]-N-methylpropane-1-sulfonamide is CCCS(=O)(=O)N(C)CCOc1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenoxy)ethyl]-N-methylpropane-1-sulfonamide?
The InChIKey is GSBGBSHPGBWKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO3S/c1-3-10-18(15,16)14(2)8-9-17-12-6-4-11(13)5-7-12/h4-7H,3,8-10H2,1-2H3.
What are the key properties of N-[2-(4-fluorophenoxy)ethyl]-N-methylpropane-1-sulfonamide?
N-[2-(4-fluorophenoxy)ethyl]-N-methylpropane-1-sulfonamide has a molecular weight of 275.34 g/mol, XLogP of 1.88, 7 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-methylpropane-1-sulfonamide is sourced from PubChem (CID 61383893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).