4-methoxy-3-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]benzenesulfonamide

C20H21F3N2O6S — CID 67169362

IUPAC4-methoxy-3-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]benzenesulfonamide
SMILESCOc1ccc(S(N)(=O)=O)cc1C(=O)N1CCC(Oc2cccc(OC(F)(F)F)c2)CC1
InChIInChI=1S/C20H21F3N2O6S/c1-29-18-6-5-16(32(24,27)28)12-17(18)19(26)25-9-7-13(8-10-25)30-14-3-2-4-15(11-14)31-20(21,22)23/h2-6,11-13H,7-10H2,1H3,(H2,24,27,28)
InChIKeyXPJIIUMCOXKCBC-UHFFFAOYSA-N
MW474.46 g/mol
LogP2.92
Rot. Bonds6

About 4-methoxy-3-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]benzenesulfonamide

4-methoxy-3-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]benzenesulfonamide (PubChem CID 67169362) has the molecular formula C20H21F3N2O6S and a molecular weight of 474.46 g/mol. Its IUPAC name is 4-methoxy-3-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-3-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]benzenesulfonamide
PubChem CID67169362
Molecular FormulaC20H21F3N2O6S
Molecular Weight474.46 g/mol
Exact Mass474.11
IUPAC Name4-methoxy-3-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]benzenesulfonamide
SMILESCOc1ccc(S(N)(=O)=O)cc1C(=O)N1CCC(Oc2cccc(OC(F)(F)F)c2)CC1
InChIInChI=1S/C20H21F3N2O6S/c1-29-18-6-5-16(32(24,27)28)12-17(18)19(26)25-9-7-13(8-10-25)30-14-3-2-4-15(11-14)31-20(21,22)23/h2-6,11-13H,7-10H2,1H3,(H2,24,27,28)
InChIKeyXPJIIUMCOXKCBC-UHFFFAOYSA-N
XLogP2.92
TPSA108.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.46
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]benzenesulfonamide
CID 53235099
3-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]benzenesulfonamide
CID 67168848
N,N-dimethyl-2-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]benzenesulfonamide
CID 67168967
4-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]benzamide
CID 67169178
4-methoxy-3-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]benzenesulfonamide
CID 18776283
(5-methoxypyrazin-2-yl)-[4-[3-(trifluoromethoxy)phenoxy]piperidin-1-yl]methanone
CID 67169671
1-[4-[3-(trifluoromethoxy)phenoxy]piperidin-1-yl]propan-1-one
CID 145486092
3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-4-methoxybenzenesulfonamide
CID 120816046
2-[methyl-[[2-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]phenyl]methyl]amino]acetamide
CID 67170379
6-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 67168125
4-fluoro-3-(4-methoxypiperidine-1-carbonyl)benzenesulfonamide
CID 65388554
4-methoxy-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbonyl]benzenesulfonamide
CID 55431976

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-3-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]benzenesulfonamide (CID 67169362) is 4-methoxy-3-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-3-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-3-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]benzenesulfonamide is COc1ccc(S(N)(=O)=O)cc1C(=O)N1CCC(Oc2cccc(OC(F)(F)F)c2)CC1.
What is the InChIKey of 4-methoxy-3-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]benzenesulfonamide?
The InChIKey is XPJIIUMCOXKCBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O6S/c1-29-18-6-5-16(32(24,27)28)12-17(18)19(26)25-9-7-13(8-10-25)30-14-3-2-4-15(11-14)31-20(21,22)23/h2-6,11-13H,7-10H2,1H3,(H2,24,27,28).
What are the key properties of 4-methoxy-3-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]benzenesulfonamide?
4-methoxy-3-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]benzenesulfonamide has a molecular weight of 474.46 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]benzenesulfonamide is sourced from PubChem (CID 67169362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).