2-(4-fluorophenoxy)-N-methyl-N-(2-pyridin-4-ylethyl)ethanesulfonamide

C16H19FN2O3S — CID 110299926

IUPAC2-(4-fluorophenoxy)-N-methyl-N-(2-pyridin-4-ylethyl)ethanesulfonamide
SMILESCN(CCc1ccncc1)S(=O)(=O)CCOc1ccc(F)cc1
InChIInChI=1S/C16H19FN2O3S/c1-19(11-8-14-6-9-18-10-7-14)23(20,21)13-12-22-16-4-2-15(17)3-5-16/h2-7,9-10H,8,11-13H2,1H3
InChIKeyWDJJYNGWGWQVID-UHFFFAOYSA-N
MW338.40 g/mol
LogP2.10
Rot. Bonds8

About 2-(4-fluorophenoxy)-N-methyl-N-(2-pyridin-4-ylethyl)ethanesulfonamide

2-(4-fluorophenoxy)-N-methyl-N-(2-pyridin-4-ylethyl)ethanesulfonamide (PubChem CID 110299926) has the molecular formula C16H19FN2O3S and a molecular weight of 338.40 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-methyl-N-(2-pyridin-4-ylethyl)ethanesulfonamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-methyl-N-(2-pyridin-4-ylethyl)ethanesulfonamide
PubChem CID110299926
Molecular FormulaC16H19FN2O3S
Molecular Weight338.40 g/mol
Exact Mass338.11
IUPAC Name2-(4-fluorophenoxy)-N-methyl-N-(2-pyridin-4-ylethyl)ethanesulfonamide
SMILESCN(CCc1ccncc1)S(=O)(=O)CCOc1ccc(F)cc1
InChIInChI=1S/C16H19FN2O3S/c1-19(11-8-14-6-9-18-10-7-14)23(20,21)13-12-22-16-4-2-15(17)3-5-16/h2-7,9-10H,8,11-13H2,1H3
InChIKeyWDJJYNGWGWQVID-UHFFFAOYSA-N
XLogP2.10
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-fluorophenoxy)ethyl]-N-methylpropane-1-sulfonamide
CID 61383893
N-[2-(4-fluorophenoxy)ethyl]-N-methylethanesulfonamide
CID 61363430
1-bromo-N-[2-(4-fluorophenoxy)ethyl]-N-methylmethanesulfonamide
CID 83093376
methyl 4-[methyl(2-pyridin-4-ylethyl)sulfamoyl]butanoate
CID 61460661
N-(dimethylsulfamoyl)-N-methyl-2-pyridin-4-ylethanamine
CID 110755632
4-(2-pyridin-4-ylethoxy)benzenesulfonamide
CID 82910996
4-[2-(4-methylphenoxy)ethyl]pyridine
CID 64763978
4-fluoro-N-[3-(4-fluorophenoxy)propyl]-N-methylbenzenesulfonamide
CID 60602045
N-methyl-4-[(2-methylpropan-2-yl)oxy]-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 110757747
2-[(4-fluorophenyl)sulfonylamino]-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 112993738
3,4-difluoro-N-methyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 110757618
3-[methyl(2-pyridin-4-ylethylsulfonyl)amino]propanethioamide
CID 60892675

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-methyl-N-(2-pyridin-4-ylethyl)ethanesulfonamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-methyl-N-(2-pyridin-4-ylethyl)ethanesulfonamide (CID 110299926) is 2-(4-fluorophenoxy)-N-methyl-N-(2-pyridin-4-ylethyl)ethanesulfonamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-methyl-N-(2-pyridin-4-ylethyl)ethanesulfonamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-methyl-N-(2-pyridin-4-ylethyl)ethanesulfonamide is CN(CCc1ccncc1)S(=O)(=O)CCOc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenoxy)-N-methyl-N-(2-pyridin-4-ylethyl)ethanesulfonamide?
The InChIKey is WDJJYNGWGWQVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O3S/c1-19(11-8-14-6-9-18-10-7-14)23(20,21)13-12-22-16-4-2-15(17)3-5-16/h2-7,9-10H,8,11-13H2,1H3.
What are the key properties of 2-(4-fluorophenoxy)-N-methyl-N-(2-pyridin-4-ylethyl)ethanesulfonamide?
2-(4-fluorophenoxy)-N-methyl-N-(2-pyridin-4-ylethyl)ethanesulfonamide has a molecular weight of 338.40 g/mol, XLogP of 2.10, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-methyl-N-(2-pyridin-4-ylethyl)ethanesulfonamide is sourced from PubChem (CID 110299926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).