N-ethyl-N-[1-(4-fluorophenyl)ethyl]-1-methyl-6-oxopyridine-3-sulfonamide

C16H19FN2O3S — CID 176509346

IUPACN-ethyl-N-[1-(4-fluorophenyl)ethyl]-1-methyl-6-oxopyridine-3-sulfonamide
SMILESCCN(C(C)c1ccc(F)cc1)S(=O)(=O)c1ccc(=O)n(C)c1
InChIInChI=1S/C16H19FN2O3S/c1-4-19(12(2)13-5-7-14(17)8-6-13)23(21,22)15-9-10-16(20)18(3)11-15/h5-12H,4H2,1-3H3
InChIKeyNKPHZBLGUPYXHA-UHFFFAOYSA-N
MW338.40 g/mol
LogP2.30
Rot. Bonds5

About N-ethyl-N-[1-(4-fluorophenyl)ethyl]-1-methyl-6-oxopyridine-3-sulfonamide

N-ethyl-N-[1-(4-fluorophenyl)ethyl]-1-methyl-6-oxopyridine-3-sulfonamide (PubChem CID 176509346) has the molecular formula C16H19FN2O3S and a molecular weight of 338.40 g/mol. Its IUPAC name is N-ethyl-N-[1-(4-fluorophenyl)ethyl]-1-methyl-6-oxopyridine-3-sulfonamide.

Molecular Properties

Compound NameN-ethyl-N-[1-(4-fluorophenyl)ethyl]-1-methyl-6-oxopyridine-3-sulfonamide
PubChem CID176509346
Molecular FormulaC16H19FN2O3S
Molecular Weight338.40 g/mol
Exact Mass338.11
IUPAC NameN-ethyl-N-[1-(4-fluorophenyl)ethyl]-1-methyl-6-oxopyridine-3-sulfonamide
SMILESCCN(C(C)c1ccc(F)cc1)S(=O)(=O)c1ccc(=O)n(C)c1
InChIInChI=1S/C16H19FN2O3S/c1-4-19(12(2)13-5-7-14(17)8-6-13)23(21,22)15-9-10-16(20)18(3)11-15/h5-12H,4H2,1-3H3
InChIKeyNKPHZBLGUPYXHA-UHFFFAOYSA-N
XLogP2.30
TPSA59.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-Fluoro-benzyl)-5-methyl-2-oxo-1,2-dihydro-pyridin-3-yl]-methanesulfonamide
CID 6488665
1-[(4-Fluorophenyl)methyl]-5-(pyrrolidine-1-sulfonyl)-1,2-dihydropyridin-2-one
CID 9507526
(1R,6R,7R)-4-fluoro-N-[2-(2-fluorophenyl)ethyl]-2-methyl-3-oxo-2-azabicyclo[4.2.0]oct-4-ene-7-sulfonamide
CID 168875567
(1R,6R,7R)-4-fluoro-N-[2-(4-fluorophenyl)ethyl]-2-methyl-3-oxo-2-azabicyclo[4.2.0]oct-4-ene-7-sulfonamide
CID 168875572
N-benzyl-1-[(4-fluorophenyl)sulfonyl]-N-isopropyl-1,2,3,6-tetrahydropyridine-4-carboxamide
CID 6623270
1-[1-(4-Fluorophenyl)ethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one
CID 16303645
1-[(2-chloro-4-fluorophenyl)methyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide
CID 24527575
1-[(3-Fluorophenyl)methyl]-5-(pyrrolidine-1-sulfonyl)-1,2-dihydropyridin-2-one
CID 30996037
1-(2-fluorobenzyl)-5-(piperidin-1-ylsulfonyl)pyridin-2(1H)-one
CID 49666978
1-(4-fluorobenzyl)-5-(piperidin-1-ylsulfonyl)pyridin-2(1H)-one
CID 49666979
1-(3,5-difluorobenzyl)-5-(morpholinosulfonyl)pyridin-2(1H)-one
CID 49666991
1-[(3-Fluorophenyl)methyl]-3-(pyrrolidine-1-sulfonyl)-1,2-dihydropyridin-2-one
CID 53161836

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[1-(4-fluorophenyl)ethyl]-1-methyl-6-oxopyridine-3-sulfonamide?
The IUPAC name of N-ethyl-N-[1-(4-fluorophenyl)ethyl]-1-methyl-6-oxopyridine-3-sulfonamide (CID 176509346) is N-ethyl-N-[1-(4-fluorophenyl)ethyl]-1-methyl-6-oxopyridine-3-sulfonamide.
What is the SMILES notation for N-ethyl-N-[1-(4-fluorophenyl)ethyl]-1-methyl-6-oxopyridine-3-sulfonamide?
The canonical SMILES for N-ethyl-N-[1-(4-fluorophenyl)ethyl]-1-methyl-6-oxopyridine-3-sulfonamide is CCN(C(C)c1ccc(F)cc1)S(=O)(=O)c1ccc(=O)n(C)c1.
What is the InChIKey of N-ethyl-N-[1-(4-fluorophenyl)ethyl]-1-methyl-6-oxopyridine-3-sulfonamide?
The InChIKey is NKPHZBLGUPYXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O3S/c1-4-19(12(2)13-5-7-14(17)8-6-13)23(21,22)15-9-10-16(20)18(3)11-15/h5-12H,4H2,1-3H3.
What are the key properties of N-ethyl-N-[1-(4-fluorophenyl)ethyl]-1-methyl-6-oxopyridine-3-sulfonamide?
N-ethyl-N-[1-(4-fluorophenyl)ethyl]-1-methyl-6-oxopyridine-3-sulfonamide has a molecular weight of 338.40 g/mol, XLogP of 2.30, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[1-(4-fluorophenyl)ethyl]-1-methyl-6-oxopyridine-3-sulfonamide is sourced from PubChem (CID 176509346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).