N-(4-chloro-2-fluorophenyl)-N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide

C16H22ClFN2O3S — CID 17405524

IUPACN-(4-chloro-2-fluorophenyl)-N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide
SMILESCC1CC(C)CN(C(=O)CN(c2ccc(Cl)cc2F)S(C)(=O)=O)C1
InChIInChI=1S/C16H22ClFN2O3S/c1-11-6-12(2)9-19(8-11)16(21)10-20(24(3,22)23)15-5-4-13(17)7-14(15)18/h4-5,7,11-12H,6,8-10H2,1-3H3
InChIKeyZFDPSBUMXCYFJJ-UHFFFAOYSA-N
MW376.88 g/mol
LogP2.75
Rot. Bonds4

About N-(4-chloro-2-fluorophenyl)-N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide

N-(4-chloro-2-fluorophenyl)-N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide (PubChem CID 17405524) has the molecular formula C16H22ClFN2O3S and a molecular weight of 376.88 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide
PubChem CID17405524
Molecular FormulaC16H22ClFN2O3S
Molecular Weight376.88 g/mol
Exact Mass376.10
IUPAC NameN-(4-chloro-2-fluorophenyl)-N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide
SMILESCC1CC(C)CN(C(=O)CN(c2ccc(Cl)cc2F)S(C)(=O)=O)C1
InChIInChI=1S/C16H22ClFN2O3S/c1-11-6-12(2)9-19(8-11)16(21)10-20(24(3,22)23)15-5-4-13(17)7-14(15)18/h4-5,7,11-12H,6,8-10H2,1-3H3
InChIKeyZFDPSBUMXCYFJJ-UHFFFAOYSA-N
XLogP2.75
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.88
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2-methylphenyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide
CID 1145387
ethyl 1-[2-(4-chloro-2-methyl-N-methylsulfonylanilino)acetyl]piperidine-4-carboxylate
CID 126032460
2-(4-chloro-2-fluoro-N-methylsulfonylanilino)-N-[4-(dimethylamino)phenyl]acetamide
CID 17408314
N-(3-chloro-4-fluorophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide
CID 967280
N-(1,3-benzodioxol-5-yl)-2-(4-chloro-2-fluoro-N-methylsulfonylanilino)acetamide
CID 17433498
N-[2-chloro-5-(trifluoromethyl)phenyl]-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide
CID 1160808
N-(2,4-dichlorophenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide
CID 113146493
N-(2,6-difluorophenyl)-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide
CID 113157617
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-(2,5-dichlorophenyl)methanesulfonamide
CID 982842
N-(5-chloro-2-methoxyphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide
CID 1100137
1-[2-(2-fluoro-N-methylsulfonylanilino)acetyl]piperidine-4-carboxamide
CID 126031859
N-(2-oxo-2-piperidin-1-ylethyl)-N-(2,4,5-trichlorophenyl)methanesulfonamide
CID 1260940

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide (CID 17405524) is N-(4-chloro-2-fluorophenyl)-N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide is CC1CC(C)CN(C(=O)CN(c2ccc(Cl)cc2F)S(C)(=O)=O)C1.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide?
The InChIKey is ZFDPSBUMXCYFJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClFN2O3S/c1-11-6-12(2)9-19(8-11)16(21)10-20(24(3,22)23)15-5-4-13(17)7-14(15)18/h4-5,7,11-12H,6,8-10H2,1-3H3.
What are the key properties of N-(4-chloro-2-fluorophenyl)-N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide?
N-(4-chloro-2-fluorophenyl)-N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide has a molecular weight of 376.88 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide is sourced from PubChem (CID 17405524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).