4-fluoro-N-[1-[2-[4-(trifluoromethyl)phenoxy]acetyl]piperidin-4-yl]benzenesulfonamide

C20H20F4N2O4S — CID 60511265

IUPAC4-fluoro-N-[1-[2-[4-(trifluoromethyl)phenoxy]acetyl]piperidin-4-yl]benzenesulfonamide
SMILESO=C(COc1ccc(C(F)(F)F)cc1)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C20H20F4N2O4S/c21-15-3-7-18(8-4-15)31(28,29)25-16-9-11-26(12-10-16)19(27)13-30-17-5-1-14(2-6-17)20(22,23)24/h1-8,16,25H,9-13H2
InChIKeyRYRWYRVOBJRWSZ-UHFFFAOYSA-N
MW460.45 g/mol
LogP3.19
Rot. Bonds6

About 4-fluoro-N-[1-[2-[4-(trifluoromethyl)phenoxy]acetyl]piperidin-4-yl]benzenesulfonamide

4-fluoro-N-[1-[2-[4-(trifluoromethyl)phenoxy]acetyl]piperidin-4-yl]benzenesulfonamide (PubChem CID 60511265) has the molecular formula C20H20F4N2O4S and a molecular weight of 460.45 g/mol. Its IUPAC name is 4-fluoro-N-[1-[2-[4-(trifluoromethyl)phenoxy]acetyl]piperidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[1-[2-[4-(trifluoromethyl)phenoxy]acetyl]piperidin-4-yl]benzenesulfonamide
PubChem CID60511265
Molecular FormulaC20H20F4N2O4S
Molecular Weight460.45 g/mol
Exact Mass460.11
IUPAC Name4-fluoro-N-[1-[2-[4-(trifluoromethyl)phenoxy]acetyl]piperidin-4-yl]benzenesulfonamide
SMILESO=C(COc1ccc(C(F)(F)F)cc1)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C20H20F4N2O4S/c21-15-3-7-18(8-4-15)31(28,29)25-16-9-11-26(12-10-16)19(27)13-30-17-5-1-14(2-6-17)20(22,23)24/h1-8,16,25H,9-13H2
InChIKeyRYRWYRVOBJRWSZ-UHFFFAOYSA-N
XLogP3.19
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.45
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]-4-methylbenzenesulfonamide
CID 50823739
N-cyclohexyl-4-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]benzenesulfonamide
CID 1084693
N-[1-[2-(4-bromophenoxy)acetyl]piperidin-4-yl]benzenesulfonamide
CID 33162002
1-[2-[4-(cyclopentylsulfamoyl)phenoxy]acetyl]piperidine-4-carboxamide
CID 6491970
1-(4-hydroxypiperidin-1-yl)-2-[4-(trifluoromethyl)phenoxy]ethanone
CID 110895179
2-(4-fluorophenoxy)-1-[4-(methylamino)piperidin-1-yl]ethanone
CID 119559642
4-methoxy-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]benzenesulfonamide
CID 50823789
2-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 37218704
methyl 1-[2-[4-(trifluoromethyl)phenoxy]acetyl]piperidine-4-carboxylate
CID 84603993
N-cyclopentyl-4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]benzenesulfonamide
CID 45374149
4-chloro-N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]benzenesulfonamide
CID 108565138
N-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-(trifluoromethyl)benzenesulfonamide
CID 55702827

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[1-[2-[4-(trifluoromethyl)phenoxy]acetyl]piperidin-4-yl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[1-[2-[4-(trifluoromethyl)phenoxy]acetyl]piperidin-4-yl]benzenesulfonamide (CID 60511265) is 4-fluoro-N-[1-[2-[4-(trifluoromethyl)phenoxy]acetyl]piperidin-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[1-[2-[4-(trifluoromethyl)phenoxy]acetyl]piperidin-4-yl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[1-[2-[4-(trifluoromethyl)phenoxy]acetyl]piperidin-4-yl]benzenesulfonamide is O=C(COc1ccc(C(F)(F)F)cc1)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 4-fluoro-N-[1-[2-[4-(trifluoromethyl)phenoxy]acetyl]piperidin-4-yl]benzenesulfonamide?
The InChIKey is RYRWYRVOBJRWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F4N2O4S/c21-15-3-7-18(8-4-15)31(28,29)25-16-9-11-26(12-10-16)19(27)13-30-17-5-1-14(2-6-17)20(22,23)24/h1-8,16,25H,9-13H2.
What are the key properties of 4-fluoro-N-[1-[2-[4-(trifluoromethyl)phenoxy]acetyl]piperidin-4-yl]benzenesulfonamide?
4-fluoro-N-[1-[2-[4-(trifluoromethyl)phenoxy]acetyl]piperidin-4-yl]benzenesulfonamide has a molecular weight of 460.45 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[1-[2-[4-(trifluoromethyl)phenoxy]acetyl]piperidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 60511265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).