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

C26H28ClFN2O2S — CID 23108744

IUPACN-(4-chlorophenyl)-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]methanesulfonamide
SMILESCS(=O)(=O)N(Cc1ccccc1C1CCN(Cc2ccc(F)cc2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C26H28ClFN2O2S/c1-33(31,32)30(25-12-8-23(27)9-13-25)19-22-4-2-3-5-26(22)21-14-16-29(17-15-21)18-20-6-10-24(28)11-7-20/h2-13,21H,14-19H2,1H3
InChIKeyKZDCKKLRTMAWLP-UHFFFAOYSA-N
MW487.04 g/mol
LogP5.82
Rot. Bonds7

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

N-(4-chlorophenyl)-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]methanesulfonamide (PubChem CID 23108744) has the molecular formula C26H28ClFN2O2S and a molecular weight of 487.04 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]methanesulfonamide
PubChem CID23108744
Molecular FormulaC26H28ClFN2O2S
Molecular Weight487.04 g/mol
Exact Mass486.15
IUPAC NameN-(4-chlorophenyl)-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]methanesulfonamide
SMILESCS(=O)(=O)N(Cc1ccccc1C1CCN(Cc2ccc(F)cc2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C26H28ClFN2O2S/c1-33(31,32)30(25-12-8-23(27)9-13-25)19-22-4-2-3-5-26(22)21-14-16-29(17-15-21)18-20-6-10-24(28)11-7-20/h2-13,21H,14-19H2,1H3
InChIKeyKZDCKKLRTMAWLP-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

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]methanesulfonamide?
The IUPAC name of N-(4-chlorophenyl)-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]methanesulfonamide (CID 23108744) is N-(4-chlorophenyl)-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]methanesulfonamide.
What is the SMILES notation for N-(4-chlorophenyl)-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]methanesulfonamide?
The canonical SMILES for N-(4-chlorophenyl)-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]methanesulfonamide is CS(=O)(=O)N(Cc1ccccc1C1CCN(Cc2ccc(F)cc2)CC1)c1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]methanesulfonamide?
The InChIKey is KZDCKKLRTMAWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClFN2O2S/c1-33(31,32)30(25-12-8-23(27)9-13-25)19-22-4-2-3-5-26(22)21-14-16-29(17-15-21)18-20-6-10-24(28)11-7-20/h2-13,21H,14-19H2,1H3.
What are the key properties of N-(4-chlorophenyl)-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]methanesulfonamide?
N-(4-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-(4-chlorophenyl)-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]methanesulfonamide is sourced from PubChem (CID 23108744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).