N-[1-[4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]phenyl]ethyl]methanesulfonamide

C21H27FN2O2S — CID 123168932

IUPACN-[1-[4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]phenyl]ethyl]methanesulfonamide
SMILESCC(NS(C)(=O)=O)c1ccc(CN2CCC(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C21H27FN2O2S/c1-16(23-27(2,25)26)18-5-3-17(4-6-18)15-24-13-11-20(12-14-24)19-7-9-21(22)10-8-19/h3-10,16,20,23H,11-15H2,1-2H3
InChIKeySCZGMQUUZDNHHQ-UHFFFAOYSA-N
MW390.52 g/mol
LogP3.82
Rot. Bonds6

About N-[1-[4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]phenyl]ethyl]methanesulfonamide

N-[1-[4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]phenyl]ethyl]methanesulfonamide (PubChem CID 123168932) has the molecular formula C21H27FN2O2S and a molecular weight of 390.52 g/mol. Its IUPAC name is N-[1-[4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]phenyl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]phenyl]ethyl]methanesulfonamide
PubChem CID123168932
Molecular FormulaC21H27FN2O2S
Molecular Weight390.52 g/mol
Exact Mass390.18
IUPAC NameN-[1-[4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]phenyl]ethyl]methanesulfonamide
SMILESCC(NS(C)(=O)=O)c1ccc(CN2CCC(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C21H27FN2O2S/c1-16(23-27(2,25)26)18-5-3-17(4-6-18)15-24-13-11-20(12-14-24)19-7-9-21(22)10-8-19/h3-10,16,20,23H,11-15H2,1-2H3
InChIKeySCZGMQUUZDNHHQ-UHFFFAOYSA-N
XLogP3.82
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.52
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-[4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]phenyl]ethyl]methanesulfonamide 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 N-[1-[4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]phenyl]ethyl]methanesulfonamide?
The IUPAC name of N-[1-[4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]phenyl]ethyl]methanesulfonamide (CID 123168932) is N-[1-[4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]phenyl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[1-[4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]phenyl]ethyl]methanesulfonamide?
The canonical SMILES for N-[1-[4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]phenyl]ethyl]methanesulfonamide is CC(NS(C)(=O)=O)c1ccc(CN2CCC(c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of N-[1-[4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]phenyl]ethyl]methanesulfonamide?
The InChIKey is SCZGMQUUZDNHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN2O2S/c1-16(23-27(2,25)26)18-5-3-17(4-6-18)15-24-13-11-20(12-14-24)19-7-9-21(22)10-8-19/h3-10,16,20,23H,11-15H2,1-2H3.
What are the key properties of N-[1-[4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]phenyl]ethyl]methanesulfonamide?
N-[1-[4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]phenyl]ethyl]methanesulfonamide has a molecular weight of 390.52 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]phenyl]ethyl]methanesulfonamide is sourced from PubChem (CID 123168932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).