N-[(2-fluorophenyl)methyl]-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide

C16H23FN2O3S — CID 113139188

IUPACN-[(2-fluorophenyl)methyl]-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide
SMILESCS(=O)(=O)N(CCC(=O)N1CCCCC1)Cc1ccccc1F
InChIInChI=1S/C16H23FN2O3S/c1-23(21,22)19(13-14-7-3-4-8-15(14)17)12-9-16(20)18-10-5-2-6-11-18/h3-4,7-8H,2,5-6,9-13H2,1H3
InChIKeyKRQSXEUSRIDXCX-UHFFFAOYSA-N
MW342.44 g/mol
LogP1.99
Rot. Bonds6

About N-[(2-fluorophenyl)methyl]-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide

N-[(2-fluorophenyl)methyl]-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide (PubChem CID 113139188) has the molecular formula C16H23FN2O3S and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide
PubChem CID113139188
Molecular FormulaC16H23FN2O3S
Molecular Weight342.44 g/mol
Exact Mass342.14
IUPAC NameN-[(2-fluorophenyl)methyl]-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide
SMILESCS(=O)(=O)N(CCC(=O)N1CCCCC1)Cc1ccccc1F
InChIInChI=1S/C16H23FN2O3S/c1-23(21,22)19(13-14-7-3-4-8-15(14)17)12-9-16(20)18-10-5-2-6-11-18/h3-4,7-8H,2,5-6,9-13H2,1H3
InChIKeyKRQSXEUSRIDXCX-UHFFFAOYSA-N
XLogP1.99
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(azepan-1-yl)-3-oxopropyl]-N-[(2-methoxyphenyl)methyl]methanesulfonamide
CID 113139575
N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-N-[(2-fluorophenyl)methyl]methanesulfonamide
CID 113139243
N-[(4-methylphenyl)methyl]-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide
CID 113138968
N-[(2-fluorophenyl)methyl]-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]methanesulfonamide
CID 113139278
1-(azepan-1-yl)-2-[(2-fluorophenyl)methyl-methylamino]ethanone
CID 78791327
N-(furan-2-ylmethyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)methanesulfonamide
CID 113138450
2-[(2-fluorophenyl)methyl-methylamino]-1-pyrrolidin-1-ylethanone
CID 47006721
N-[(4-methoxyphenyl)methyl]-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide
CID 113139616
N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-N-[(2-fluorophenyl)methyl]methanesulfonamide
CID 113150950
N-[2-(azepan-1-yl)-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]methanesulfonamide
CID 113151179
2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-(4-piperidin-1-ylphenyl)acetamide
CID 100516824
9-(2-fluorophenyl)-1-piperidin-1-ylnonan-1-one
CID 171353148

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide (CID 113139188) is N-[(2-fluorophenyl)methyl]-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide is CS(=O)(=O)N(CCC(=O)N1CCCCC1)Cc1ccccc1F.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide?
The InChIKey is KRQSXEUSRIDXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O3S/c1-23(21,22)19(13-14-7-3-4-8-15(14)17)12-9-16(20)18-10-5-2-6-11-18/h3-4,7-8H,2,5-6,9-13H2,1H3.
What are the key properties of N-[(2-fluorophenyl)methyl]-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide?
N-[(2-fluorophenyl)methyl]-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide has a molecular weight of 342.44 g/mol, XLogP of 1.99, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide is sourced from PubChem (CID 113139188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).