N-(3-fluorophenyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide

C15H21FN2O3S — CID 3154525

IUPACN-(3-fluorophenyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide
SMILESCC1CCN(C(=O)CN(c2cccc(F)c2)S(C)(=O)=O)CC1
InChIInChI=1S/C15H21FN2O3S/c1-12-6-8-17(9-7-12)15(19)11-18(22(2,20)21)14-5-3-4-13(16)10-14/h3-5,10,12H,6-9,11H2,1-2H3
InChIKeyVLGGXSQIROXDBX-UHFFFAOYSA-N
MW328.41 g/mol
LogP1.85
Rot. Bonds4

About N-(3-fluorophenyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide

N-(3-fluorophenyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide (PubChem CID 3154525) has the molecular formula C15H21FN2O3S and a molecular weight of 328.41 g/mol. Its IUPAC name is N-(3-fluorophenyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide
PubChem CID3154525
Molecular FormulaC15H21FN2O3S
Molecular Weight328.41 g/mol
Exact Mass328.13
IUPAC NameN-(3-fluorophenyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide
SMILESCC1CCN(C(=O)CN(c2cccc(F)c2)S(C)(=O)=O)CC1
InChIInChI=1S/C15H21FN2O3S/c1-12-6-8-17(9-7-12)15(19)11-18(22(2,20)21)14-5-3-4-13(16)10-14/h3-5,10,12H,6-9,11H2,1-2H3
InChIKeyVLGGXSQIROXDBX-UHFFFAOYSA-N
XLogP1.85
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-cyanophenyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide
CID 31256314
N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-N-(3-fluorophenyl)methanesulfonamide
CID 1090625
ethyl 4-[2-(3-fluoro-N-methylsulfonylanilino)acetyl]piperazine-1-carboxylate
CID 1006889
N-(3-fluorophenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]methanesulfonamide
CID 4212038
N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-N-(3-fluorophenyl)methanesulfonamide
CID 113156420
N-[2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-N-(3-fluorophenyl)methanesulfonamide
CID 124757176
N-[4-(dimethylamino)phenyl]-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide
CID 113156111
N-(4-tert-butylphenyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide
CID 113154627
N-(3-fluorophenyl)-N-[2-oxo-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]methanesulfonamide
CID 157011299
N-(3-fluorophenyl)-N-[2-[(1R,5S)-6-methyl-7-oxo-3,6-diazabicyclo[3.2.2]nonan-3-yl]-2-oxoethyl]methanesulfonamide
CID 118790040
2-(3-fluoro-N-methylsulfonylanilino)-N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]acetamide
CID 43897921
N-[3-(azepan-1-yl)-3-oxopropyl]-N-(3-fluorophenyl)methanesulfonamide
CID 113145953

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide?
The IUPAC name of N-(3-fluorophenyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide (CID 3154525) is N-(3-fluorophenyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide.
What is the SMILES notation for N-(3-fluorophenyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide?
The canonical SMILES for N-(3-fluorophenyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide is CC1CCN(C(=O)CN(c2cccc(F)c2)S(C)(=O)=O)CC1.
What is the InChIKey of N-(3-fluorophenyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide?
The InChIKey is VLGGXSQIROXDBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O3S/c1-12-6-8-17(9-7-12)15(19)11-18(22(2,20)21)14-5-3-4-13(16)10-14/h3-5,10,12H,6-9,11H2,1-2H3.
What are the key properties of N-(3-fluorophenyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide?
N-(3-fluorophenyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide has a molecular weight of 328.41 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide is sourced from PubChem (CID 3154525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).