1-(2,6-difluorophenyl)-N-[(1-pyridin-2-ylcyclobutyl)methyl]methanesulfonamide

C17H18F2N2O2S — CID 138997292

IUPAC1-(2,6-difluorophenyl)-N-[(1-pyridin-2-ylcyclobutyl)methyl]methanesulfonamide
SMILESO=S(=O)(Cc1c(F)cccc1F)NCC1(c2ccccn2)CCC1
InChIInChI=1S/C17H18F2N2O2S/c18-14-5-3-6-15(19)13(14)11-24(22,23)21-12-17(8-4-9-17)16-7-1-2-10-20-16/h1-3,5-7,10,21H,4,8-9,11-12H2
InChIKeyWHKOWTLUZOHQLE-UHFFFAOYSA-N
MW352.41 g/mol
LogP2.90
Rot. Bonds6

About 1-(2,6-difluorophenyl)-N-[(1-pyridin-2-ylcyclobutyl)methyl]methanesulfonamide

1-(2,6-difluorophenyl)-N-[(1-pyridin-2-ylcyclobutyl)methyl]methanesulfonamide (PubChem CID 138997292) has the molecular formula C17H18F2N2O2S and a molecular weight of 352.41 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-N-[(1-pyridin-2-ylcyclobutyl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-N-[(1-pyridin-2-ylcyclobutyl)methyl]methanesulfonamide
PubChem CID138997292
Molecular FormulaC17H18F2N2O2S
Molecular Weight352.41 g/mol
Exact Mass352.11
IUPAC Name1-(2,6-difluorophenyl)-N-[(1-pyridin-2-ylcyclobutyl)methyl]methanesulfonamide
SMILESO=S(=O)(Cc1c(F)cccc1F)NCC1(c2ccccn2)CCC1
InChIInChI=1S/C17H18F2N2O2S/c18-14-5-3-6-15(19)13(14)11-24(22,23)21-12-17(8-4-9-17)16-7-1-2-10-20-16/h1-3,5-7,10,21H,4,8-9,11-12H2
InChIKeyWHKOWTLUZOHQLE-UHFFFAOYSA-N
XLogP2.90
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-difluorophenyl)-N-[(1-ethylcyclobutyl)methyl]methanesulfonamide
CID 126795757
4,4-difluoro-2-(hydroxymethyl)-N-[(1-pyridin-2-ylcyclobutyl)methyl]pyrrolidine-1-carboxamide
CID 154741750
N-[(2,6-difluorophenyl)methyl]-2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethanamine
CID 129158672
2-(1-pyridin-2-ylcyclobutyl)ethanol
CID 83683269
N-[(1-phenylcyclobutyl)methyl]ethanesulfonamide
CID 113090928
1,1-dimethyl-3-[(1-pyridin-2-ylcyclopentyl)methyl]urea
CID 110478720
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-1-phenylmethanesulfonamide
CID 110446165
3-oxo-N-[(1-pyridin-2-ylcyclopentyl)methyl]butanamide
CID 110477352
(1-pyridin-2-ylcyclopentyl)methyl methanesulfonate
CID 86726091
2-(1-pyridin-2-ylcycloheptyl)ethanamine
CID 83821963
1-(2-fluorophenyl)-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]methanesulfonamide
CID 121179131
1-(2-fluorophenyl)-N-(5-pyridin-2-yl-2-pyridinyl)methanesulfonamide
CID 75522843

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-N-[(1-pyridin-2-ylcyclobutyl)methyl]methanesulfonamide?
The IUPAC name of 1-(2,6-difluorophenyl)-N-[(1-pyridin-2-ylcyclobutyl)methyl]methanesulfonamide (CID 138997292) is 1-(2,6-difluorophenyl)-N-[(1-pyridin-2-ylcyclobutyl)methyl]methanesulfonamide.
What is the SMILES notation for 1-(2,6-difluorophenyl)-N-[(1-pyridin-2-ylcyclobutyl)methyl]methanesulfonamide?
The canonical SMILES for 1-(2,6-difluorophenyl)-N-[(1-pyridin-2-ylcyclobutyl)methyl]methanesulfonamide is O=S(=O)(Cc1c(F)cccc1F)NCC1(c2ccccn2)CCC1.
What is the InChIKey of 1-(2,6-difluorophenyl)-N-[(1-pyridin-2-ylcyclobutyl)methyl]methanesulfonamide?
The InChIKey is WHKOWTLUZOHQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O2S/c18-14-5-3-6-15(19)13(14)11-24(22,23)21-12-17(8-4-9-17)16-7-1-2-10-20-16/h1-3,5-7,10,21H,4,8-9,11-12H2.
What are the key properties of 1-(2,6-difluorophenyl)-N-[(1-pyridin-2-ylcyclobutyl)methyl]methanesulfonamide?
1-(2,6-difluorophenyl)-N-[(1-pyridin-2-ylcyclobutyl)methyl]methanesulfonamide has a molecular weight of 352.41 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-N-[(1-pyridin-2-ylcyclobutyl)methyl]methanesulfonamide is sourced from PubChem (CID 138997292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).