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

C19H19F3N2O5S — CID 53235099

IUPAC4-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C(=O)N2CCC(Oc3cccc(OC(F)(F)F)c3)CC2)cc1
InChIInChI=1S/C19H19F3N2O5S/c20-19(21,22)29-16-3-1-2-15(12-16)28-14-8-10-24(11-9-14)18(25)13-4-6-17(7-5-13)30(23,26)27/h1-7,12,14H,8-11H2,(H2,23,26,27)
InChIKeyQMLPLYJKKZIBAO-UHFFFAOYSA-N
MW444.43 g/mol
LogP2.92
Rot. Bonds5

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

4-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]benzenesulfonamide (PubChem CID 53235099) has the molecular formula C19H19F3N2O5S and a molecular weight of 444.43 g/mol. Its IUPAC name is 4-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]benzenesulfonamide
PubChem CID53235099
Molecular FormulaC19H19F3N2O5S
Molecular Weight444.43 g/mol
Exact Mass444.10
IUPAC Name4-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C(=O)N2CCC(Oc3cccc(OC(F)(F)F)c3)CC2)cc1
InChIInChI=1S/C19H19F3N2O5S/c20-19(21,22)29-16-3-1-2-15(12-16)28-14-8-10-24(11-9-14)18(25)13-4-6-17(7-5-13)30(23,26)27/h1-7,12,14H,8-11H2,(H2,23,26,27)
InChIKeyQMLPLYJKKZIBAO-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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Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]benzenesulfonamide?
The IUPAC name of 4-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]benzenesulfonamide (CID 53235099) is 4-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]benzenesulfonamide.
What is the SMILES notation for 4-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]benzenesulfonamide?
The canonical SMILES for 4-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]benzenesulfonamide is NS(=O)(=O)c1ccc(C(=O)N2CCC(Oc3cccc(OC(F)(F)F)c3)CC2)cc1.
What is the InChIKey of 4-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]benzenesulfonamide?
The InChIKey is QMLPLYJKKZIBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O5S/c20-19(21,22)29-16-3-1-2-15(12-16)28-14-8-10-24(11-9-14)18(25)13-4-6-17(7-5-13)30(23,26)27/h1-7,12,14H,8-11H2,(H2,23,26,27).
What are the key properties of 4-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]benzenesulfonamide?
4-[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 4-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]benzenesulfonamide is sourced from PubChem (CID 53235099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).