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

C21H23F3N2O5S — CID 67168967

IUPACN,N-dimethyl-2-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccccc1C(=O)N1CCC(Oc2cccc(OC(F)(F)F)c2)CC1
InChIInChI=1S/C21H23F3N2O5S/c1-25(2)32(28,29)19-9-4-3-8-18(19)20(27)26-12-10-15(11-13-26)30-16-6-5-7-17(14-16)31-21(22,23)24/h3-9,14-15H,10-13H2,1-2H3
InChIKeyUPEAEGWYJZMFRI-UHFFFAOYSA-N
MW472.49 g/mol
LogP3.52
Rot. Bonds6

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

N,N-dimethyl-2-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]benzenesulfonamide (PubChem CID 67168967) has the molecular formula C21H23F3N2O5S and a molecular weight of 472.49 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]benzenesulfonamide
PubChem CID67168967
Molecular FormulaC21H23F3N2O5S
Molecular Weight472.49 g/mol
Exact Mass472.13
IUPAC NameN,N-dimethyl-2-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccccc1C(=O)N1CCC(Oc2cccc(OC(F)(F)F)c2)CC1
InChIInChI=1S/C21H23F3N2O5S/c1-25(2)32(28,29)19-9-4-3-8-18(19)20(27)26-12-10-15(11-13-26)30-16-6-5-7-17(14-16)31-21(22,23)24/h3-9,14-15H,10-13H2,1-2H3
InChIKeyUPEAEGWYJZMFRI-UHFFFAOYSA-N
XLogP3.52
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.49
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-2-[4-[3-(2,2,2-trifluoroethoxy)phenoxy]piperidine-1-carbonyl]benzenesulfonamide
CID 67167696
2-[methyl-[[2-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]phenyl]methyl]amino]acetamide
CID 67170379
4-methoxy-3-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]benzenesulfonamide
CID 67169362
3-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]benzenesulfonamide
CID 67168848
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
8-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]-1H-quinolin-4-one
CID 67169812
6-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 67168125
(5-methoxypyrazin-2-yl)-[4-[3-(trifluoromethoxy)phenoxy]piperidin-1-yl]methanone
CID 67169671
1,8-naphthyridin-2-yl-[4-[3-(trifluoromethoxy)phenoxy]piperidin-1-yl]methanone
CID 67171137
[2-(2,2-difluoroethyl)phenyl]-[4-[2-[3-(trifluoromethoxy)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]methanone
CID 70262517

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]benzenesulfonamide?
The IUPAC name of N,N-dimethyl-2-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]benzenesulfonamide (CID 67168967) is N,N-dimethyl-2-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-2-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-2-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]benzenesulfonamide is CN(C)S(=O)(=O)c1ccccc1C(=O)N1CCC(Oc2cccc(OC(F)(F)F)c2)CC1.
What is the InChIKey of N,N-dimethyl-2-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]benzenesulfonamide?
The InChIKey is UPEAEGWYJZMFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N2O5S/c1-25(2)32(28,29)19-9-4-3-8-18(19)20(27)26-12-10-15(11-13-26)30-16-6-5-7-17(14-16)31-21(22,23)24/h3-9,14-15H,10-13H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]benzenesulfonamide?
N,N-dimethyl-2-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]benzenesulfonamide has a molecular weight of 472.49 g/mol, XLogP of 3.52, 6 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-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]benzenesulfonamide is sourced from PubChem (CID 67168967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).