3-fluoro-N-[(4-phenyl-1-propylsulfonylpiperidin-4-yl)methyl]-4-(trifluoromethyl)benzamide

C23H26F4N2O3S — CID 11179250

IUPAC3-fluoro-N-[(4-phenyl-1-propylsulfonylpiperidin-4-yl)methyl]-4-(trifluoromethyl)benzamide
SMILESCCCS(=O)(=O)N1CCC(CNC(=O)c2ccc(C(F)(F)F)c(F)c2)(c2ccccc2)CC1
InChIInChI=1S/C23H26F4N2O3S/c1-2-14-33(31,32)29-12-10-22(11-13-29,18-6-4-3-5-7-18)16-28-21(30)17-8-9-19(20(24)15-17)23(25,26)27/h3-9,15H,2,10-14,16H2,1H3,(H,28,30)
InChIKeyVLXJOXLOTBAOBL-UHFFFAOYSA-N
MW486.53 g/mol
LogP4.35
Rot. Bonds7

About 3-fluoro-N-[(4-phenyl-1-propylsulfonylpiperidin-4-yl)methyl]-4-(trifluoromethyl)benzamide

3-fluoro-N-[(4-phenyl-1-propylsulfonylpiperidin-4-yl)methyl]-4-(trifluoromethyl)benzamide (PubChem CID 11179250) has the molecular formula C23H26F4N2O3S and a molecular weight of 486.53 g/mol. Its IUPAC name is 3-fluoro-N-[(4-phenyl-1-propylsulfonylpiperidin-4-yl)methyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name3-fluoro-N-[(4-phenyl-1-propylsulfonylpiperidin-4-yl)methyl]-4-(trifluoromethyl)benzamide
PubChem CID11179250
Molecular FormulaC23H26F4N2O3S
Molecular Weight486.53 g/mol
Exact Mass486.16
IUPAC Name3-fluoro-N-[(4-phenyl-1-propylsulfonylpiperidin-4-yl)methyl]-4-(trifluoromethyl)benzamide
SMILESCCCS(=O)(=O)N1CCC(CNC(=O)c2ccc(C(F)(F)F)c(F)c2)(c2ccccc2)CC1
InChIInChI=1S/C23H26F4N2O3S/c1-2-14-33(31,32)29-12-10-22(11-13-29,18-6-4-3-5-7-18)16-28-21(30)17-8-9-19(20(24)15-17)23(25,26)27/h3-9,15H,2,10-14,16H2,1H3,(H,28,30)
InChIKeyVLXJOXLOTBAOBL-UHFFFAOYSA-N
XLogP4.35
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.53
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 990581
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3-fluoro-N-[[4-[(p-tolylsulfonylamino)methyl]phenyl]methyl]benzamide
CID 130431477
4-tert-butyl-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 669716
4-{4-[(2R)-2-fluoro-1-(propane-2-sulfonamido)propan-2-yl]phenyl}-N-methylbenzamide
CID 9952446
4-fluoro-N-[[4-[[(3-methylphenyl)sulfonylamino]methyl]phenyl]methyl]benzamide
CID 155532736
4-fluoro-N-[[4-[[(4-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]benzamide
CID 155567744
N-[(2-fluorophenyl)methyl]-3-piperidin-1-ylsulfonylbenzamide
CID 2122704
4-Fluoro-N-[1-(4-fluoro-benzenesulfonyl)-piperidin-4-yl]-benzamide
CID 9821220
2,6-difluoro-N-[[1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methyl]benzamide
CID 54764172
4-fluoro-2-methyl-N-[[1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methyl]benzamide
CID 54764173
N-[[1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methyl]-2-(trifluoromethyl)benzamide
CID 54764522

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(4-phenyl-1-propylsulfonylpiperidin-4-yl)methyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of 3-fluoro-N-[(4-phenyl-1-propylsulfonylpiperidin-4-yl)methyl]-4-(trifluoromethyl)benzamide (CID 11179250) is 3-fluoro-N-[(4-phenyl-1-propylsulfonylpiperidin-4-yl)methyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 3-fluoro-N-[(4-phenyl-1-propylsulfonylpiperidin-4-yl)methyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for 3-fluoro-N-[(4-phenyl-1-propylsulfonylpiperidin-4-yl)methyl]-4-(trifluoromethyl)benzamide is CCCS(=O)(=O)N1CCC(CNC(=O)c2ccc(C(F)(F)F)c(F)c2)(c2ccccc2)CC1.
What is the InChIKey of 3-fluoro-N-[(4-phenyl-1-propylsulfonylpiperidin-4-yl)methyl]-4-(trifluoromethyl)benzamide?
The InChIKey is VLXJOXLOTBAOBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F4N2O3S/c1-2-14-33(31,32)29-12-10-22(11-13-29,18-6-4-3-5-7-18)16-28-21(30)17-8-9-19(20(24)15-17)23(25,26)27/h3-9,15H,2,10-14,16H2,1H3,(H,28,30).
What are the key properties of 3-fluoro-N-[(4-phenyl-1-propylsulfonylpiperidin-4-yl)methyl]-4-(trifluoromethyl)benzamide?
3-fluoro-N-[(4-phenyl-1-propylsulfonylpiperidin-4-yl)methyl]-4-(trifluoromethyl)benzamide has a molecular weight of 486.53 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(4-phenyl-1-propylsulfonylpiperidin-4-yl)methyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 11179250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).