N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]methanesulfonamide

C13H13FN2O3S — CID 39660247

IUPACN-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1cccnc1Oc1cccc(F)c1
InChIInChI=1S/C13H13FN2O3S/c1-20(17,18)16-9-10-4-3-7-15-13(10)19-12-6-2-5-11(14)8-12/h2-8,16H,9H2,1H3
InChIKeyXJNWPDKMAJDMAP-UHFFFAOYSA-N
MW296.32 g/mol
LogP2.06
Rot. Bonds5

About N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]methanesulfonamide

N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]methanesulfonamide (PubChem CID 39660247) has the molecular formula C13H13FN2O3S and a molecular weight of 296.32 g/mol. Its IUPAC name is N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]methanesulfonamide
PubChem CID39660247
Molecular FormulaC13H13FN2O3S
Molecular Weight296.32 g/mol
Exact Mass296.06
IUPAC NameN-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1cccnc1Oc1cccc(F)c1
InChIInChI=1S/C13H13FN2O3S/c1-20(17,18)16-9-10-4-3-7-15-13(10)19-12-6-2-5-11(14)8-12/h2-8,16H,9H2,1H3
InChIKeyXJNWPDKMAJDMAP-UHFFFAOYSA-N
XLogP2.06
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]benzenesulfonamide
CID 39660078
N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-methoxybenzenesulfonamide
CID 55691601
N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2,5-dimethoxybenzenesulfonamide
CID 39660154
N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-methylsulfonylbenzamide
CID 60553727
N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-1,3-dioxoisoindole-5-sulfonamide
CID 56561894
6-tert-butylsulfonyl-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]pyridin-3-amine
CID 133373902
N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119847855
N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-methyl-1H-indole-3-carboxamide
CID 60553697
N-[2-[[2-(3-fluorophenoxy)-3-pyridinyl]methylamino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
CID 55837977
N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]propane-1-sulfonamide
CID 42595685
N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-methylquinoline-3-carboxamide
CID 86986167
4-amino-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-3-methoxybutanamide
CID 120595328

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]methanesulfonamide?
The IUPAC name of N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]methanesulfonamide (CID 39660247) is N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]methanesulfonamide?
The canonical SMILES for N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]methanesulfonamide is CS(=O)(=O)NCc1cccnc1Oc1cccc(F)c1.
What is the InChIKey of N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]methanesulfonamide?
The InChIKey is XJNWPDKMAJDMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O3S/c1-20(17,18)16-9-10-4-3-7-15-13(10)19-12-6-2-5-11(14)8-12/h2-8,16H,9H2,1H3.
What are the key properties of N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]methanesulfonamide?
N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]methanesulfonamide has a molecular weight of 296.32 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]methanesulfonamide is sourced from PubChem (CID 39660247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).