N-(2-ethoxy-4-fluorophenyl)-N-(pyridin-2-ylmethyl)methanesulfonamide

C15H17FN2O3S — CID 57010241

IUPACN-(2-ethoxy-4-fluorophenyl)-N-(pyridin-2-ylmethyl)methanesulfonamide
SMILESCCOc1cc(F)ccc1N(Cc1ccccn1)S(C)(=O)=O
InChIInChI=1S/C15H17FN2O3S/c1-3-21-15-10-12(16)7-8-14(15)18(22(2,19)20)11-13-6-4-5-9-17-13/h4-10H,3,11H2,1-2H3
InChIKeyVGEKHUNRDBCGBV-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.59
Rot. Bonds6

About N-(2-ethoxy-4-fluorophenyl)-N-(pyridin-2-ylmethyl)methanesulfonamide

N-(2-ethoxy-4-fluorophenyl)-N-(pyridin-2-ylmethyl)methanesulfonamide (PubChem CID 57010241) has the molecular formula C15H17FN2O3S and a molecular weight of 324.38 g/mol. Its IUPAC name is N-(2-ethoxy-4-fluorophenyl)-N-(pyridin-2-ylmethyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-ethoxy-4-fluorophenyl)-N-(pyridin-2-ylmethyl)methanesulfonamide
PubChem CID57010241
Molecular FormulaC15H17FN2O3S
Molecular Weight324.38 g/mol
Exact Mass324.09
IUPAC NameN-(2-ethoxy-4-fluorophenyl)-N-(pyridin-2-ylmethyl)methanesulfonamide
SMILESCCOc1cc(F)ccc1N(Cc1ccccn1)S(C)(=O)=O
InChIInChI=1S/C15H17FN2O3S/c1-3-21-15-10-12(16)7-8-14(15)18(22(2,19)20)11-13-6-4-5-9-17-13/h4-10H,3,11H2,1-2H3
InChIKeyVGEKHUNRDBCGBV-UHFFFAOYSA-N
XLogP2.59
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(6-ethoxy-2-pyridinyl)methyl]-N-(2-fluorophenyl)methanesulfonamide
CID 75520405
2-[benzyl(methylsulfonyl)amino]-N-(2-ethoxyphenyl)benzamide
CID 1107753
2-bromo-4-fluoro-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 47257761
5-fluoro-2-methoxy-N-(pyridin-2-ylmethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 52907215
5-fluoro-2-[methyl(pyridin-2-ylmethyl)amino]benzonitrile
CID 55233709
N-(2,4-difluorophenyl)-3-(2-ethoxy-N-methylsulfonylanilino)propanamide
CID 113144844
2-[benzyl(methylsulfonyl)amino]-4,5-dimethoxy-N-(pyridin-2-ylmethyl)benzamide
CID 30150724
N-(2-ethoxyphenyl)-3-(3-fluoro-N-methylsulfonylanilino)propanamide
CID 113145992
3-ethoxy-2-fluoropyridine
CID 11355527
N-(2,4-difluorophenyl)-2-(2-methoxy-4-methylphenoxy)-N-(pyridin-2-ylmethyl)acetamide
CID 55889361
5-(diethylsulfamoyl)-N-(2,4-difluorophenyl)-2-fluoro-N-(pyridin-2-ylmethyl)benzamide
CID 55889236
4-fluoro-N-methyl-2-(propylaminomethyl)-N-(pyridin-2-ylmethyl)aniline
CID 43565214

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxy-4-fluorophenyl)-N-(pyridin-2-ylmethyl)methanesulfonamide?
The IUPAC name of N-(2-ethoxy-4-fluorophenyl)-N-(pyridin-2-ylmethyl)methanesulfonamide (CID 57010241) is N-(2-ethoxy-4-fluorophenyl)-N-(pyridin-2-ylmethyl)methanesulfonamide.
What is the SMILES notation for N-(2-ethoxy-4-fluorophenyl)-N-(pyridin-2-ylmethyl)methanesulfonamide?
The canonical SMILES for N-(2-ethoxy-4-fluorophenyl)-N-(pyridin-2-ylmethyl)methanesulfonamide is CCOc1cc(F)ccc1N(Cc1ccccn1)S(C)(=O)=O.
What is the InChIKey of N-(2-ethoxy-4-fluorophenyl)-N-(pyridin-2-ylmethyl)methanesulfonamide?
The InChIKey is VGEKHUNRDBCGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O3S/c1-3-21-15-10-12(16)7-8-14(15)18(22(2,19)20)11-13-6-4-5-9-17-13/h4-10H,3,11H2,1-2H3.
What are the key properties of N-(2-ethoxy-4-fluorophenyl)-N-(pyridin-2-ylmethyl)methanesulfonamide?
N-(2-ethoxy-4-fluorophenyl)-N-(pyridin-2-ylmethyl)methanesulfonamide has a molecular weight of 324.38 g/mol, XLogP of 2.59, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxy-4-fluorophenyl)-N-(pyridin-2-ylmethyl)methanesulfonamide is sourced from PubChem (CID 57010241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).