N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-4-fluoro-N-(4-methylphenyl)benzenesulfonamide

C27H29FN2O3S — CID 2950979

IUPACN-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-4-fluoro-N-(4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(N(CC(=O)N2CCC(Cc3ccccc3)CC2)S(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C27H29FN2O3S/c1-21-7-11-25(12-8-21)30(34(32,33)26-13-9-24(28)10-14-26)20-27(31)29-17-15-23(16-18-29)19-22-5-3-2-4-6-22/h2-14,23H,15-20H2,1H3
InChIKeyIJPIDTZBIJVUPL-UHFFFAOYSA-N
MW480.61 g/mol
LogP4.81
Rot. Bonds7

About N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-4-fluoro-N-(4-methylphenyl)benzenesulfonamide

N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-4-fluoro-N-(4-methylphenyl)benzenesulfonamide (PubChem CID 2950979) has the molecular formula C27H29FN2O3S and a molecular weight of 480.61 g/mol. Its IUPAC name is N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-4-fluoro-N-(4-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-4-fluoro-N-(4-methylphenyl)benzenesulfonamide
PubChem CID2950979
Molecular FormulaC27H29FN2O3S
Molecular Weight480.61 g/mol
Exact Mass480.19
IUPAC NameN-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-4-fluoro-N-(4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(N(CC(=O)N2CCC(Cc3ccccc3)CC2)S(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C27H29FN2O3S/c1-21-7-11-25(12-8-21)30(34(32,33)26-13-9-24(28)10-14-26)20-27(31)29-17-15-23(16-18-29)19-22-5-3-2-4-6-22/h2-14,23H,15-20H2,1H3
InChIKeyIJPIDTZBIJVUPL-UHFFFAOYSA-N
XLogP4.81
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.61
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(4-methylphenyl)benzenesulfonamide
CID 1000027
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(4-fluorophenyl)methanesulfonamide
CID 1143321
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(4-iodophenyl)benzenesulfonamide
CID 126178030
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(2,5-dimethylphenyl)-4-methylbenzenesulfonamide
CID 51343926
N-(4-methylphenyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 1000741
4-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-N-phenylbenzenesulfonamide
CID 1142876
N-(4-fluorophenyl)-4-methyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 1009849
N-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-4-fluoro-N-(4-methylphenyl)benzenesulfonamide
CID 51344904
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(3,4-dimethoxyphenyl)benzenesulfonamide
CID 51343527
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 126009765
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 51343487
N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-cyclohexyl-4-methylbenzenesulfonamide
CID 42700905

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-4-fluoro-N-(4-methylphenyl)benzenesulfonamide?
The IUPAC name of N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-4-fluoro-N-(4-methylphenyl)benzenesulfonamide (CID 2950979) is N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-4-fluoro-N-(4-methylphenyl)benzenesulfonamide.
What is the SMILES notation for N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-4-fluoro-N-(4-methylphenyl)benzenesulfonamide?
The canonical SMILES for N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-4-fluoro-N-(4-methylphenyl)benzenesulfonamide is Cc1ccc(N(CC(=O)N2CCC(Cc3ccccc3)CC2)S(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-4-fluoro-N-(4-methylphenyl)benzenesulfonamide?
The InChIKey is IJPIDTZBIJVUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FN2O3S/c1-21-7-11-25(12-8-21)30(34(32,33)26-13-9-24(28)10-14-26)20-27(31)29-17-15-23(16-18-29)19-22-5-3-2-4-6-22/h2-14,23H,15-20H2,1H3.
What are the key properties of N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-4-fluoro-N-(4-methylphenyl)benzenesulfonamide?
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-4-fluoro-N-(4-methylphenyl)benzenesulfonamide has a molecular weight of 480.61 g/mol, XLogP of 4.81, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-4-fluoro-N-(4-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 2950979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).