4-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]-3-(trifluoromethyl)benzenesulfonamide

C18H20F3N3O3S — CID 133349622

IUPAC4-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]-3-(trifluoromethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N2CCC(COc3ccccn3)CC2)c(C(F)(F)F)c1
InChIInChI=1S/C18H20F3N3O3S/c19-18(20,21)15-11-14(28(22,25)26)4-5-16(15)24-9-6-13(7-10-24)12-27-17-3-1-2-8-23-17/h1-5,8,11,13H,6-7,9-10,12H2,(H2,22,25,26)
InChIKeySHPKHWFDRNPKRT-UHFFFAOYSA-N
MW415.44 g/mol
LogP3.04
Rot. Bonds5

About 4-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]-3-(trifluoromethyl)benzenesulfonamide

4-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 133349622) has the molecular formula C18H20F3N3O3S and a molecular weight of 415.44 g/mol. Its IUPAC name is 4-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID133349622
Molecular FormulaC18H20F3N3O3S
Molecular Weight415.44 g/mol
Exact Mass415.12
IUPAC Name4-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]-3-(trifluoromethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N2CCC(COc3ccccn3)CC2)c(C(F)(F)F)c1
InChIInChI=1S/C18H20F3N3O3S/c19-18(20,21)15-11-14(28(22,25)26)4-5-16(15)24-9-6-13(7-10-24)12-27-17-3-1-2-8-23-17/h1-5,8,11,13H,6-7,9-10,12H2,(H2,22,25,26)
InChIKeySHPKHWFDRNPKRT-UHFFFAOYSA-N
XLogP3.04
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.44
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 133290641
5-piperidin-1-ylsulfonyl-2-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]pyridine
CID 133349588
4-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 133290509
2-[1-[4-sulfamoyl-2-(trifluoromethyl)phenyl]piperidin-3-yl]acetamide
CID 133355915
4-[4-(4-methylbenzoyl)piperidin-1-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 133291317
4-methoxy-6-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]pyrimidine
CID 166605974
2-[[1-(4-nitrophenyl)piperidin-4-yl]methoxy]pyridine
CID 133349539
1-[4-methoxy-2-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]phenyl]-2,2-dimethylpropan-1-one
CID 175922233
4-(1,3,3a,4,7,7a-hexahydroisoindol-2-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 133322846
2-fluoro-6-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]pyridine
CID 133349592
2-[4-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]pyrimidine
CID 126874767
3-methyl-6-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]pyrimidin-4-one
CID 126874409

Frequently Asked Questions

What is the IUPAC name of 4-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]-3-(trifluoromethyl)benzenesulfonamide (CID 133349622) is 4-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]-3-(trifluoromethyl)benzenesulfonamide is NS(=O)(=O)c1ccc(N2CCC(COc3ccccn3)CC2)c(C(F)(F)F)c1.
What is the InChIKey of 4-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is SHPKHWFDRNPKRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3O3S/c19-18(20,21)15-11-14(28(22,25)26)4-5-16(15)24-9-6-13(7-10-24)12-27-17-3-1-2-8-23-17/h1-5,8,11,13H,6-7,9-10,12H2,(H2,22,25,26).
What are the key properties of 4-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]-3-(trifluoromethyl)benzenesulfonamide?
4-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 415.44 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 133349622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).