N-[(2-fluoro-4-piperidin-4-ylphenyl)methyl]-1-phenyl-N-(2,2,2-trifluoroethyl)methanesulfonamide;hydrochloride

C21H25ClF4N2O2S — CID 86690650

IUPACN-[(2-fluoro-4-piperidin-4-ylphenyl)methyl]-1-phenyl-N-(2,2,2-trifluoroethyl)methanesulfonamide;hydrochloride
SMILESCl.O=S(=O)(Cc1ccccc1)N(Cc1ccc(C2CCNCC2)cc1F)CC(F)(F)F
InChIInChI=1S/C21H24F4N2O2S.ClH/c22-20-12-18(17-8-10-26-11-9-17)6-7-19(20)13-27(15-21(23,24)25)30(28,29)14-16-4-2-1-3-5-16;/h1-7,12,17,26H,8-11,13-15H2;1H
InChIKeyQKXPOTYUNGGEBR-UHFFFAOYSA-N
MW480.96 g/mol
LogP4.61
Rot. Bonds7

About N-[(2-fluoro-4-piperidin-4-ylphenyl)methyl]-1-phenyl-N-(2,2,2-trifluoroethyl)methanesulfonamide;hydrochloride

N-[(2-fluoro-4-piperidin-4-ylphenyl)methyl]-1-phenyl-N-(2,2,2-trifluoroethyl)methanesulfonamide;hydrochloride (PubChem CID 86690650) has the molecular formula C21H25ClF4N2O2S and a molecular weight of 480.96 g/mol. Its IUPAC name is N-[(2-fluoro-4-piperidin-4-ylphenyl)methyl]-1-phenyl-N-(2,2,2-trifluoroethyl)methanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[(2-fluoro-4-piperidin-4-ylphenyl)methyl]-1-phenyl-N-(2,2,2-trifluoroethyl)methanesulfonamide;hydrochloride
PubChem CID86690650
Molecular FormulaC21H25ClF4N2O2S
Molecular Weight480.96 g/mol
Exact Mass480.13
IUPAC NameN-[(2-fluoro-4-piperidin-4-ylphenyl)methyl]-1-phenyl-N-(2,2,2-trifluoroethyl)methanesulfonamide;hydrochloride
SMILESCl.O=S(=O)(Cc1ccccc1)N(Cc1ccc(C2CCNCC2)cc1F)CC(F)(F)F
InChIInChI=1S/C21H24F4N2O2S.ClH/c22-20-12-18(17-8-10-26-11-9-17)6-7-19(20)13-27(15-21(23,24)25)30(28,29)14-16-4-2-1-3-5-16;/h1-7,12,17,26H,8-11,13-15H2;1H
InChIKeyQKXPOTYUNGGEBR-UHFFFAOYSA-N
XLogP4.61
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.96
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2-fluoro-4-piperidin-4-ylphenyl)methyl]-1-phenyl-N-(2,2,2-trifluoroethyl)methanesulfonamide;hydrochloride 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-[(2-fluoro-4-piperidin-4-ylphenyl)methyl]-1-phenyl-N-(2,2,2-trifluoroethyl)methanesulfonamide;hydrochloride?
The IUPAC name of N-[(2-fluoro-4-piperidin-4-ylphenyl)methyl]-1-phenyl-N-(2,2,2-trifluoroethyl)methanesulfonamide;hydrochloride (CID 86690650) is N-[(2-fluoro-4-piperidin-4-ylphenyl)methyl]-1-phenyl-N-(2,2,2-trifluoroethyl)methanesulfonamide;hydrochloride.
What is the SMILES notation for N-[(2-fluoro-4-piperidin-4-ylphenyl)methyl]-1-phenyl-N-(2,2,2-trifluoroethyl)methanesulfonamide;hydrochloride?
The canonical SMILES for N-[(2-fluoro-4-piperidin-4-ylphenyl)methyl]-1-phenyl-N-(2,2,2-trifluoroethyl)methanesulfonamide;hydrochloride is Cl.O=S(=O)(Cc1ccccc1)N(Cc1ccc(C2CCNCC2)cc1F)CC(F)(F)F.
What is the InChIKey of N-[(2-fluoro-4-piperidin-4-ylphenyl)methyl]-1-phenyl-N-(2,2,2-trifluoroethyl)methanesulfonamide;hydrochloride?
The InChIKey is QKXPOTYUNGGEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F4N2O2S.ClH/c22-20-12-18(17-8-10-26-11-9-17)6-7-19(20)13-27(15-21(23,24)25)30(28,29)14-16-4-2-1-3-5-16;/h1-7,12,17,26H,8-11,13-15H2;1H.
What are the key properties of N-[(2-fluoro-4-piperidin-4-ylphenyl)methyl]-1-phenyl-N-(2,2,2-trifluoroethyl)methanesulfonamide;hydrochloride?
N-[(2-fluoro-4-piperidin-4-ylphenyl)methyl]-1-phenyl-N-(2,2,2-trifluoroethyl)methanesulfonamide;hydrochloride has a molecular weight of 480.96 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluoro-4-piperidin-4-ylphenyl)methyl]-1-phenyl-N-(2,2,2-trifluoroethyl)methanesulfonamide;hydrochloride is sourced from PubChem (CID 86690650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).