N-(3-chlorophenyl)-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]methanesulfonamide

C26H28ClFN2O2S — CID 23108693

IUPACN-(3-chlorophenyl)-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]methanesulfonamide
SMILESCS(=O)(=O)N(Cc1ccccc1C1CCN(Cc2ccc(F)cc2)CC1)c1cccc(Cl)c1
InChIInChI=1S/C26H28ClFN2O2S/c1-33(31,32)30(25-7-4-6-23(27)17-25)19-22-5-2-3-8-26(22)21-13-15-29(16-14-21)18-20-9-11-24(28)12-10-20/h2-12,17,21H,13-16,18-19H2,1H3
InChIKeyOJCKCUGUZMPGBO-UHFFFAOYSA-N
MW487.04 g/mol
LogP5.82
Rot. Bonds7

About N-(3-chlorophenyl)-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]methanesulfonamide

N-(3-chlorophenyl)-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]methanesulfonamide (PubChem CID 23108693) has the molecular formula C26H28ClFN2O2S and a molecular weight of 487.04 g/mol. Its IUPAC name is N-(3-chlorophenyl)-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]methanesulfonamide
PubChem CID23108693
Molecular FormulaC26H28ClFN2O2S
Molecular Weight487.04 g/mol
Exact Mass486.15
IUPAC NameN-(3-chlorophenyl)-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]methanesulfonamide
SMILESCS(=O)(=O)N(Cc1ccccc1C1CCN(Cc2ccc(F)cc2)CC1)c1cccc(Cl)c1
InChIInChI=1S/C26H28ClFN2O2S/c1-33(31,32)30(25-7-4-6-23(27)17-25)19-22-5-2-3-8-26(22)21-13-15-29(16-14-21)18-20-9-11-24(28)12-10-20/h2-12,17,21H,13-16,18-19H2,1H3
InChIKeyOJCKCUGUZMPGBO-UHFFFAOYSA-N
XLogP5.82
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.04
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(3-chlorophenyl)-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]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-(3-chlorophenyl)-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]methanesulfonamide?
The IUPAC name of N-(3-chlorophenyl)-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]methanesulfonamide (CID 23108693) is N-(3-chlorophenyl)-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]methanesulfonamide.
What is the SMILES notation for N-(3-chlorophenyl)-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]methanesulfonamide?
The canonical SMILES for N-(3-chlorophenyl)-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]methanesulfonamide is CS(=O)(=O)N(Cc1ccccc1C1CCN(Cc2ccc(F)cc2)CC1)c1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]methanesulfonamide?
The InChIKey is OJCKCUGUZMPGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClFN2O2S/c1-33(31,32)30(25-7-4-6-23(27)17-25)19-22-5-2-3-8-26(22)21-13-15-29(16-14-21)18-20-9-11-24(28)12-10-20/h2-12,17,21H,13-16,18-19H2,1H3.
What are the key properties of N-(3-chlorophenyl)-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]methanesulfonamide?
N-(3-chlorophenyl)-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]methanesulfonamide has a molecular weight of 487.04 g/mol, XLogP of 5.82, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]methanesulfonamide is sourced from PubChem (CID 23108693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).