N-[(6-ethoxy-2-pyridinyl)methyl]-N-(2-fluorophenyl)methanesulfonamide

C15H17FN2O3S — CID 75520405

IUPACN-[(6-ethoxy-2-pyridinyl)methyl]-N-(2-fluorophenyl)methanesulfonamide
SMILESCCOc1cccc(CN(c2ccccc2F)S(C)(=O)=O)n1
InChIInChI=1S/C15H17FN2O3S/c1-3-21-15-10-6-7-12(17-15)11-18(22(2,19)20)14-9-5-4-8-13(14)16/h4-10H,3,11H2,1-2H3
InChIKeyFKYGEUMENLJVFC-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.59
Rot. Bonds6

About N-[(6-ethoxy-2-pyridinyl)methyl]-N-(2-fluorophenyl)methanesulfonamide

N-[(6-ethoxy-2-pyridinyl)methyl]-N-(2-fluorophenyl)methanesulfonamide (PubChem CID 75520405) has the molecular formula C15H17FN2O3S and a molecular weight of 324.38 g/mol. Its IUPAC name is N-[(6-ethoxy-2-pyridinyl)methyl]-N-(2-fluorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[(6-ethoxy-2-pyridinyl)methyl]-N-(2-fluorophenyl)methanesulfonamide
PubChem CID75520405
Molecular FormulaC15H17FN2O3S
Molecular Weight324.38 g/mol
Exact Mass324.09
IUPAC NameN-[(6-ethoxy-2-pyridinyl)methyl]-N-(2-fluorophenyl)methanesulfonamide
SMILESCCOc1cccc(CN(c2ccccc2F)S(C)(=O)=O)n1
InChIInChI=1S/C15H17FN2O3S/c1-3-21-15-10-6-7-12(17-15)11-18(22(2,19)20)14-9-5-4-8-13(14)16/h4-10H,3,11H2,1-2H3
InChIKeyFKYGEUMENLJVFC-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-(2-ethoxy-4-fluorophenyl)-N-(pyridin-2-ylmethyl)methanesulfonamide
CID 57010241
2-ethoxy-6-ethylpyridine
CID 58662042
N'-[(6-ethoxy-2-pyridinyl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine
CID 120912540
N-(3-ethoxyphenyl)-4-(2-fluoro-N-methylsulfonylanilino)butanamide
CID 53287797
N-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]methanesulfonamide
CID 113069709
N-(4-ethoxyphenyl)-4-(2-fluoro-N-methylsulfonylanilino)butanamide
CID 53287763
N-[1-(4-ethoxyphenyl)ethyl]-2-(2-fluoro-N-methylsulfonylanilino)acetamide
CID 43876040
N-butyl-2-(2-fluoro-N-methylsulfonylanilino)-N-methylacetamide
CID 113154697
N-butyl-3-(2-fluoro-N-methylsulfonylanilino)-N-methylpropanamide
CID 113143446
2-[(6-ethoxy-2-pyridinyl)methylsulfonylmethyl]-5-methyl-1,3-thiazole
CID 75476939
N-cyclohexyl-4-[(2-fluoro-N-methylsulfonylanilino)methyl]benzamide
CID 53287040
N-ethyl-3-fluoro-N-(2-fluorophenyl)pyridine-2-sulfonamide
CID 103299977

Frequently Asked Questions

What is the IUPAC name of N-[(6-ethoxy-2-pyridinyl)methyl]-N-(2-fluorophenyl)methanesulfonamide?
The IUPAC name of N-[(6-ethoxy-2-pyridinyl)methyl]-N-(2-fluorophenyl)methanesulfonamide (CID 75520405) is N-[(6-ethoxy-2-pyridinyl)methyl]-N-(2-fluorophenyl)methanesulfonamide.
What is the SMILES notation for N-[(6-ethoxy-2-pyridinyl)methyl]-N-(2-fluorophenyl)methanesulfonamide?
The canonical SMILES for N-[(6-ethoxy-2-pyridinyl)methyl]-N-(2-fluorophenyl)methanesulfonamide is CCOc1cccc(CN(c2ccccc2F)S(C)(=O)=O)n1.
What is the InChIKey of N-[(6-ethoxy-2-pyridinyl)methyl]-N-(2-fluorophenyl)methanesulfonamide?
The InChIKey is FKYGEUMENLJVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O3S/c1-3-21-15-10-6-7-12(17-15)11-18(22(2,19)20)14-9-5-4-8-13(14)16/h4-10H,3,11H2,1-2H3.
What are the key properties of N-[(6-ethoxy-2-pyridinyl)methyl]-N-(2-fluorophenyl)methanesulfonamide?
N-[(6-ethoxy-2-pyridinyl)methyl]-N-(2-fluorophenyl)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-[(6-ethoxy-2-pyridinyl)methyl]-N-(2-fluorophenyl)methanesulfonamide is sourced from PubChem (CID 75520405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).