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

C16H23FN2O3S — CID 6463729

IUPACN-[(4-fluorophenyl)methyl]-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide
SMILESCC1CCN(C(=O)CN(Cc2ccc(F)cc2)S(C)(=O)=O)CC1
InChIInChI=1S/C16H23FN2O3S/c1-13-7-9-18(10-8-13)16(20)12-19(23(2,21)22)11-14-3-5-15(17)6-4-14/h3-6,13H,7-12H2,1-2H3
InChIKeyOBKIERLUJACLCJ-UHFFFAOYSA-N
MW342.44 g/mol
LogP1.85
Rot. Bonds5

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

N-[(4-fluorophenyl)methyl]-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide (PubChem CID 6463729) has the molecular formula C16H23FN2O3S and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide
PubChem CID6463729
Molecular FormulaC16H23FN2O3S
Molecular Weight342.44 g/mol
Exact Mass342.14
IUPAC NameN-[(4-fluorophenyl)methyl]-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide
SMILESCC1CCN(C(=O)CN(Cc2ccc(F)cc2)S(C)(=O)=O)CC1
InChIInChI=1S/C16H23FN2O3S/c1-13-7-9-18(10-8-13)16(20)12-19(23(2,21)22)11-14-3-5-15(17)6-4-14/h3-6,13H,7-12H2,1-2H3
InChIKeyOBKIERLUJACLCJ-UHFFFAOYSA-N
XLogP1.85
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide (CID 6463729) is N-[(4-fluorophenyl)methyl]-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide is CC1CCN(C(=O)CN(Cc2ccc(F)cc2)S(C)(=O)=O)CC1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide?
The InChIKey is OBKIERLUJACLCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O3S/c1-13-7-9-18(10-8-13)16(20)12-19(23(2,21)22)11-14-3-5-15(17)6-4-14/h3-6,13H,7-12H2,1-2H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide?
N-[(4-fluorophenyl)methyl]-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide has a molecular weight of 342.44 g/mol, XLogP of 1.85, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide is sourced from PubChem (CID 6463729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).