N-[(2R)-1-[4-(4-hydroxybenzoyl)piperidin-1-yl]-1-oxopropan-2-yl]-2-(trifluoromethyl)benzenesulfonamide

C22H23F3N2O5S — CID 51930348

IUPACN-[(2R)-1-[4-(4-hydroxybenzoyl)piperidin-1-yl]-1-oxopropan-2-yl]-2-(trifluoromethyl)benzenesulfonamide
SMILESC[C@@H](NS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)N1CCC(C(=O)c2ccc(O)cc2)CC1
InChIInChI=1S/C22H23F3N2O5S/c1-14(26-33(31,32)19-5-3-2-4-18(19)22(23,24)25)21(30)27-12-10-16(11-13-27)20(29)15-6-8-17(28)9-7-15/h2-9,14,16,26,28H,10-13H2,1H3/t14-/m1/s1
InChIKeyAROJHLKSKCPYEV-CQSZACIVSA-N
MW484.50 g/mol
LogP3.20
Rot. Bonds6

About N-[(2R)-1-[4-(4-hydroxybenzoyl)piperidin-1-yl]-1-oxopropan-2-yl]-2-(trifluoromethyl)benzenesulfonamide

N-[(2R)-1-[4-(4-hydroxybenzoyl)piperidin-1-yl]-1-oxopropan-2-yl]-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 51930348) has the molecular formula C22H23F3N2O5S and a molecular weight of 484.50 g/mol. Its IUPAC name is N-[(2R)-1-[4-(4-hydroxybenzoyl)piperidin-1-yl]-1-oxopropan-2-yl]-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(2R)-1-[4-(4-hydroxybenzoyl)piperidin-1-yl]-1-oxopropan-2-yl]-2-(trifluoromethyl)benzenesulfonamide
PubChem CID51930348
Molecular FormulaC22H23F3N2O5S
Molecular Weight484.50 g/mol
Exact Mass484.13
IUPAC NameN-[(2R)-1-[4-(4-hydroxybenzoyl)piperidin-1-yl]-1-oxopropan-2-yl]-2-(trifluoromethyl)benzenesulfonamide
SMILESC[C@@H](NS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)N1CCC(C(=O)c2ccc(O)cc2)CC1
InChIInChI=1S/C22H23F3N2O5S/c1-14(26-33(31,32)19-5-3-2-4-18(19)22(23,24)25)21(30)27-12-10-16(11-13-27)20(29)15-6-8-17(28)9-7-15/h2-9,14,16,26,28H,10-13H2,1H3/t14-/m1/s1
InChIKeyAROJHLKSKCPYEV-CQSZACIVSA-N
XLogP3.20
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.50
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(2R)-1-[4-(4-hydroxybenzoyl)piperidin-1-yl]-1-oxopropan-2-yl]-2-(trifluoromethyl)benzenesulfonamide with MolForge

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Launch Full Analysis

Related Compounds

N-[(2S)-1-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-1-oxopropan-2-yl]-2-(trifluoromethyl)benzenesulfonamide
CID 55949695
1-[2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanoyl]pyrrolidine-3-carboxylic acid
CID 119355103
N-[1-[4-(methylamino)piperidin-1-yl]-1-oxopropan-2-yl]-2-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119563131
N-[(2S)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-1-oxopropan-2-yl]-2-(trifluoromethyl)benzenesulfonamide
CID 55938474
N-[(2S)-1-oxo-1-[4-(propylsulfonylamino)piperidin-1-yl]propan-2-yl]-2-(trifluoromethyl)benzenesulfonamide
CID 55939135
tert-butyl N-[1-[(2S)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanoyl]piperidin-4-yl]carbamate
CID 55939956
N-[(2S)-1-[4-(2-hydroxybenzoyl)piperazin-1-yl]-1-oxopropan-2-yl]-2-(trifluoromethyl)benzenesulfonamide
CID 55940072
N-[(2S)-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-1-oxopropan-2-yl]-2-(trifluoromethyl)benzenesulfonamide
CID 31279711
N-[1-[2-(methylaminomethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-2-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119651384
ethyl 4-[[(2S)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanoyl]amino]piperidine-1-carboxylate
CID 31339737
N-[(2S)-1-[2-(4-fluorophenyl)morpholin-4-yl]-1-oxopropan-2-yl]-2-(trifluoromethyl)benzenesulfonamide
CID 55938300
N-[(2S)-1-[2-(4-fluorobenzoyl)hydrazinyl]-1-oxopropan-2-yl]-2-(trifluoromethyl)benzenesulfonamide
CID 55935778

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[4-(4-hydroxybenzoyl)piperidin-1-yl]-1-oxopropan-2-yl]-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[(2R)-1-[4-(4-hydroxybenzoyl)piperidin-1-yl]-1-oxopropan-2-yl]-2-(trifluoromethyl)benzenesulfonamide (CID 51930348) is N-[(2R)-1-[4-(4-hydroxybenzoyl)piperidin-1-yl]-1-oxopropan-2-yl]-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[(2R)-1-[4-(4-hydroxybenzoyl)piperidin-1-yl]-1-oxopropan-2-yl]-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[(2R)-1-[4-(4-hydroxybenzoyl)piperidin-1-yl]-1-oxopropan-2-yl]-2-(trifluoromethyl)benzenesulfonamide is C[C@@H](NS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)N1CCC(C(=O)c2ccc(O)cc2)CC1.
What is the InChIKey of N-[(2R)-1-[4-(4-hydroxybenzoyl)piperidin-1-yl]-1-oxopropan-2-yl]-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is AROJHLKSKCPYEV-CQSZACIVSA-N. The full InChI is InChI=1S/C22H23F3N2O5S/c1-14(26-33(31,32)19-5-3-2-4-18(19)22(23,24)25)21(30)27-12-10-16(11-13-27)20(29)15-6-8-17(28)9-7-15/h2-9,14,16,26,28H,10-13H2,1H3/t14-/m1/s1.
What are the key properties of N-[(2R)-1-[4-(4-hydroxybenzoyl)piperidin-1-yl]-1-oxopropan-2-yl]-2-(trifluoromethyl)benzenesulfonamide?
N-[(2R)-1-[4-(4-hydroxybenzoyl)piperidin-1-yl]-1-oxopropan-2-yl]-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 484.50 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[4-(4-hydroxybenzoyl)piperidin-1-yl]-1-oxopropan-2-yl]-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 51930348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).