N,N-dimethyl-2-[4-[3-(2,2,2-trifluoroethoxy)phenoxy]piperidine-1-carbonyl]benzenesulfonamide

C22H25F3N2O5S — CID 67167696

IUPACN,N-dimethyl-2-[4-[3-(2,2,2-trifluoroethoxy)phenoxy]piperidine-1-carbonyl]benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccccc1C(=O)N1CCC(Oc2cccc(OCC(F)(F)F)c2)CC1
InChIInChI=1S/C22H25F3N2O5S/c1-26(2)33(29,30)20-9-4-3-8-19(20)21(28)27-12-10-16(11-13-27)32-18-7-5-6-17(14-18)31-15-22(23,24)25/h3-9,14,16H,10-13,15H2,1-2H3
InChIKeyVEUUAHMTHKLEGM-UHFFFAOYSA-N
MW486.51 g/mol
LogP3.56
Rot. Bonds7

About N,N-dimethyl-2-[4-[3-(2,2,2-trifluoroethoxy)phenoxy]piperidine-1-carbonyl]benzenesulfonamide

N,N-dimethyl-2-[4-[3-(2,2,2-trifluoroethoxy)phenoxy]piperidine-1-carbonyl]benzenesulfonamide (PubChem CID 67167696) has the molecular formula C22H25F3N2O5S and a molecular weight of 486.51 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-[3-(2,2,2-trifluoroethoxy)phenoxy]piperidine-1-carbonyl]benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-[3-(2,2,2-trifluoroethoxy)phenoxy]piperidine-1-carbonyl]benzenesulfonamide
PubChem CID67167696
Molecular FormulaC22H25F3N2O5S
Molecular Weight486.51 g/mol
Exact Mass486.14
IUPAC NameN,N-dimethyl-2-[4-[3-(2,2,2-trifluoroethoxy)phenoxy]piperidine-1-carbonyl]benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccccc1C(=O)N1CCC(Oc2cccc(OCC(F)(F)F)c2)CC1
InChIInChI=1S/C22H25F3N2O5S/c1-26(2)33(29,30)20-9-4-3-8-19(20)21(28)27-12-10-16(11-13-27)32-18-7-5-6-17(14-18)31-15-22(23,24)25/h3-9,14,16H,10-13,15H2,1-2H3
InChIKeyVEUUAHMTHKLEGM-UHFFFAOYSA-N
XLogP3.56
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.51
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-2-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]benzenesulfonamide
CID 67168967
4-[4-[3-(2,2,2-trifluoroethoxy)phenoxy]piperidine-1-carbonyl]benzamide
CID 67170684
2-[methyl-[[2-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]phenyl]methyl]amino]acetamide
CID 67170379
2-[2-[4-[3-(trifluoromethyl)phenoxy]piperidine-1-carbonyl]phenoxy]acetamide
CID 67169798
4-[3-(2,2,2-trifluoroethoxy)phenoxy]piperidine
CID 67168614
4-methoxy-3-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]benzenesulfonamide
CID 67169362
[4-(3-ethoxyphenoxy)piperidin-1-yl]-(3-methylsulfonylphenyl)methanone
CID 67169946
4-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]benzenesulfonamide
CID 53235099
4-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]benzamide
CID 67169178
1-[4-[3-(trifluoromethoxy)phenoxy]piperidin-1-yl]propan-1-one
CID 145486092
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109425927
3-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]benzenesulfonamide
CID 67168848

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-[3-(2,2,2-trifluoroethoxy)phenoxy]piperidine-1-carbonyl]benzenesulfonamide?
The IUPAC name of N,N-dimethyl-2-[4-[3-(2,2,2-trifluoroethoxy)phenoxy]piperidine-1-carbonyl]benzenesulfonamide (CID 67167696) is N,N-dimethyl-2-[4-[3-(2,2,2-trifluoroethoxy)phenoxy]piperidine-1-carbonyl]benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-2-[4-[3-(2,2,2-trifluoroethoxy)phenoxy]piperidine-1-carbonyl]benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-2-[4-[3-(2,2,2-trifluoroethoxy)phenoxy]piperidine-1-carbonyl]benzenesulfonamide is CN(C)S(=O)(=O)c1ccccc1C(=O)N1CCC(Oc2cccc(OCC(F)(F)F)c2)CC1.
What is the InChIKey of N,N-dimethyl-2-[4-[3-(2,2,2-trifluoroethoxy)phenoxy]piperidine-1-carbonyl]benzenesulfonamide?
The InChIKey is VEUUAHMTHKLEGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N2O5S/c1-26(2)33(29,30)20-9-4-3-8-19(20)21(28)27-12-10-16(11-13-27)32-18-7-5-6-17(14-18)31-15-22(23,24)25/h3-9,14,16H,10-13,15H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[4-[3-(2,2,2-trifluoroethoxy)phenoxy]piperidine-1-carbonyl]benzenesulfonamide?
N,N-dimethyl-2-[4-[3-(2,2,2-trifluoroethoxy)phenoxy]piperidine-1-carbonyl]benzenesulfonamide has a molecular weight of 486.51 g/mol, XLogP of 3.56, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[4-[3-(2,2,2-trifluoroethoxy)phenoxy]piperidine-1-carbonyl]benzenesulfonamide is sourced from PubChem (CID 67167696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).