5-cyclopropyl-2-fluoro-4-[[4-(fluoromethyl)-4-(4-fluorophenyl)piperidin-1-yl]methyl]-N-methylsulfonylbenzamide

C24H27F3N2O3S — CID 118111063

IUPAC5-cyclopropyl-2-fluoro-4-[[4-(fluoromethyl)-4-(4-fluorophenyl)piperidin-1-yl]methyl]-N-methylsulfonylbenzamide
SMILESCS(=O)(=O)NC(=O)c1cc(C2CC2)c(CN2CCC(CF)(c3ccc(F)cc3)CC2)cc1F
InChIInChI=1S/C24H27F3N2O3S/c1-33(31,32)28-23(30)21-13-20(16-2-3-16)17(12-22(21)27)14-29-10-8-24(15-25,9-11-29)18-4-6-19(26)7-5-18/h4-7,12-13,16H,2-3,8-11,14-15H2,1H3,(H,28,30)
InChIKeyRVRJHZDELUTPMU-UHFFFAOYSA-N
MW480.55 g/mol
LogP4.03
Rot. Bonds7

About 5-cyclopropyl-2-fluoro-4-[[4-(fluoromethyl)-4-(4-fluorophenyl)piperidin-1-yl]methyl]-N-methylsulfonylbenzamide

5-cyclopropyl-2-fluoro-4-[[4-(fluoromethyl)-4-(4-fluorophenyl)piperidin-1-yl]methyl]-N-methylsulfonylbenzamide (PubChem CID 118111063) has the molecular formula C24H27F3N2O3S and a molecular weight of 480.55 g/mol. Its IUPAC name is 5-cyclopropyl-2-fluoro-4-[[4-(fluoromethyl)-4-(4-fluorophenyl)piperidin-1-yl]methyl]-N-methylsulfonylbenzamide.

Molecular Properties

Compound Name5-cyclopropyl-2-fluoro-4-[[4-(fluoromethyl)-4-(4-fluorophenyl)piperidin-1-yl]methyl]-N-methylsulfonylbenzamide
PubChem CID118111063
Molecular FormulaC24H27F3N2O3S
Molecular Weight480.55 g/mol
Exact Mass480.17
IUPAC Name5-cyclopropyl-2-fluoro-4-[[4-(fluoromethyl)-4-(4-fluorophenyl)piperidin-1-yl]methyl]-N-methylsulfonylbenzamide
SMILESCS(=O)(=O)NC(=O)c1cc(C2CC2)c(CN2CCC(CF)(c3ccc(F)cc3)CC2)cc1F
InChIInChI=1S/C24H27F3N2O3S/c1-33(31,32)28-23(30)21-13-20(16-2-3-16)17(12-22(21)27)14-29-10-8-24(15-25,9-11-29)18-4-6-19(26)7-5-18/h4-7,12-13,16H,2-3,8-11,14-15H2,1H3,(H,28,30)
InChIKeyRVRJHZDELUTPMU-UHFFFAOYSA-N
XLogP4.03
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.55
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-cyclopropyl-2-fluoro-4-[[4-(fluoromethyl)-4-(4-fluorophenyl)piperidin-1-yl]methyl]-N-methylsulfonylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-fluoro-4-[[4-(fluoromethyl)-4-(4-fluorophenyl)piperidin-1-yl]methyl]-N-methylsulfonylbenzamide?
The IUPAC name of 5-cyclopropyl-2-fluoro-4-[[4-(fluoromethyl)-4-(4-fluorophenyl)piperidin-1-yl]methyl]-N-methylsulfonylbenzamide (CID 118111063) is 5-cyclopropyl-2-fluoro-4-[[4-(fluoromethyl)-4-(4-fluorophenyl)piperidin-1-yl]methyl]-N-methylsulfonylbenzamide.
What is the SMILES notation for 5-cyclopropyl-2-fluoro-4-[[4-(fluoromethyl)-4-(4-fluorophenyl)piperidin-1-yl]methyl]-N-methylsulfonylbenzamide?
The canonical SMILES for 5-cyclopropyl-2-fluoro-4-[[4-(fluoromethyl)-4-(4-fluorophenyl)piperidin-1-yl]methyl]-N-methylsulfonylbenzamide is CS(=O)(=O)NC(=O)c1cc(C2CC2)c(CN2CCC(CF)(c3ccc(F)cc3)CC2)cc1F.
What is the InChIKey of 5-cyclopropyl-2-fluoro-4-[[4-(fluoromethyl)-4-(4-fluorophenyl)piperidin-1-yl]methyl]-N-methylsulfonylbenzamide?
The InChIKey is RVRJHZDELUTPMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F3N2O3S/c1-33(31,32)28-23(30)21-13-20(16-2-3-16)17(12-22(21)27)14-29-10-8-24(15-25,9-11-29)18-4-6-19(26)7-5-18/h4-7,12-13,16H,2-3,8-11,14-15H2,1H3,(H,28,30).
What are the key properties of 5-cyclopropyl-2-fluoro-4-[[4-(fluoromethyl)-4-(4-fluorophenyl)piperidin-1-yl]methyl]-N-methylsulfonylbenzamide?
5-cyclopropyl-2-fluoro-4-[[4-(fluoromethyl)-4-(4-fluorophenyl)piperidin-1-yl]methyl]-N-methylsulfonylbenzamide has a molecular weight of 480.55 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-fluoro-4-[[4-(fluoromethyl)-4-(4-fluorophenyl)piperidin-1-yl]methyl]-N-methylsulfonylbenzamide is sourced from PubChem (CID 118111063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).