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

C19H19F3N2O5S — CID 67168848

IUPAC3-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(C(=O)N2CCC(Oc3cccc(OC(F)(F)F)c3)CC2)c1
InChIInChI=1S/C19H19F3N2O5S/c20-19(21,22)29-16-5-2-4-15(12-16)28-14-7-9-24(10-8-14)18(25)13-3-1-6-17(11-13)30(23,26)27/h1-6,11-12,14H,7-10H2,(H2,23,26,27)
InChIKeyZNBCMFBEJLWISG-UHFFFAOYSA-N
MW444.43 g/mol
LogP2.92
Rot. Bonds5

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

3-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]benzenesulfonamide (PubChem CID 67168848) has the molecular formula C19H19F3N2O5S and a molecular weight of 444.43 g/mol. Its IUPAC name is 3-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]benzenesulfonamide.

Molecular Properties

Compound Name3-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]benzenesulfonamide
PubChem CID67168848
Molecular FormulaC19H19F3N2O5S
Molecular Weight444.43 g/mol
Exact Mass444.10
IUPAC Name3-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(C(=O)N2CCC(Oc3cccc(OC(F)(F)F)c3)CC2)c1
InChIInChI=1S/C19H19F3N2O5S/c20-19(21,22)29-16-5-2-4-15(12-16)28-14-7-9-24(10-8-14)18(25)13-3-1-6-17(11-13)30(23,26)27/h1-6,11-12,14H,7-10H2,(H2,23,26,27)
InChIKeyZNBCMFBEJLWISG-UHFFFAOYSA-N
XLogP2.92
TPSA98.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.43
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]benzenesulfonamide
CID 53235099
4-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]benzamide
CID 67169178
4-methoxy-3-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]benzenesulfonamide
CID 67169362
[4-(3-ethoxyphenoxy)piperidin-1-yl]-(3-methylsulfonylphenyl)methanone
CID 67169946
6-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 67168125
1-[4-[3-(trifluoromethoxy)phenoxy]piperidin-1-yl]propan-1-one
CID 145486092
N,N-dimethyl-2-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]benzenesulfonamide
CID 67168967
(3-fluorophenyl)-[4-[2-[3-(trifluoromethoxy)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]methanone
CID 59447423
2-[1-[4-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]phenyl]ethylamino]acetamide
CID 70664464
4-[4-[3-(2,2,2-trifluoroethoxy)phenoxy]piperidine-1-carbonyl]benzamide
CID 67170684
[1-(2-hydroxyethyl)-2-methylbenzimidazol-5-yl]-[4-[3-(trifluoromethoxy)phenoxy]piperidin-1-yl]methanone
CID 67170002
(5-methoxypyrazin-2-yl)-[4-[3-(trifluoromethoxy)phenoxy]piperidin-1-yl]methanone
CID 67169671

Frequently Asked Questions

What is the IUPAC name of 3-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]benzenesulfonamide?
The IUPAC name of 3-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]benzenesulfonamide (CID 67168848) is 3-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]benzenesulfonamide.
What is the SMILES notation for 3-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]benzenesulfonamide?
The canonical SMILES for 3-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]benzenesulfonamide is NS(=O)(=O)c1cccc(C(=O)N2CCC(Oc3cccc(OC(F)(F)F)c3)CC2)c1.
What is the InChIKey of 3-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]benzenesulfonamide?
The InChIKey is ZNBCMFBEJLWISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O5S/c20-19(21,22)29-16-5-2-4-15(12-16)28-14-7-9-24(10-8-14)18(25)13-3-1-6-17(11-13)30(23,26)27/h1-6,11-12,14H,7-10H2,(H2,23,26,27).
What are the key properties of 3-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]benzenesulfonamide?
3-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]benzenesulfonamide has a molecular weight of 444.43 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]benzenesulfonamide is sourced from PubChem (CID 67168848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).