N-[(2R)-3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-hydroxypropyl]-3-(trifluoromethyl)benzenesulfonamide

C17H25F3N2O3S — CID 44526975

IUPACN-[(2R)-3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-hydroxypropyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESC[C@@H]1CCC[C@H](C)N1C[C@@H](O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H25F3N2O3S/c1-12-5-3-6-13(2)22(12)11-15(23)10-21-26(24,25)16-8-4-7-14(9-16)17(18,19)20/h4,7-9,12-13,15,21,23H,3,5-6,10-11H2,1-2H3/t12-,13+,15-/m0/s1
InChIKeyZYNKPRJYGBZGAV-GUTXKFCHSA-N
MW394.46 g/mol
LogP2.61
Rot. Bonds6

About N-[(2R)-3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-hydroxypropyl]-3-(trifluoromethyl)benzenesulfonamide

N-[(2R)-3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-hydroxypropyl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 44526975) has the molecular formula C17H25F3N2O3S and a molecular weight of 394.46 g/mol. Its IUPAC name is N-[(2R)-3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-hydroxypropyl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(2R)-3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-hydroxypropyl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID44526975
Molecular FormulaC17H25F3N2O3S
Molecular Weight394.46 g/mol
Exact Mass394.15
IUPAC NameN-[(2R)-3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-hydroxypropyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESC[C@@H]1CCC[C@H](C)N1C[C@@H](O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H25F3N2O3S/c1-12-5-3-6-13(2)22(12)11-15(23)10-21-26(24,25)16-8-4-7-14(9-16)17(18,19)20/h4,7-9,12-13,15,21,23H,3,5-6,10-11H2,1-2H3/t12-,13+,15-/m0/s1
InChIKeyZYNKPRJYGBZGAV-GUTXKFCHSA-N
XLogP2.61
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.46
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2R)-3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-hydroxypropyl]-3-(trifluoromethyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2R)-3-(2,6-dimethylpiperidin-1-yl)-2-hydroxypropyl]-3-(trifluoromethyl)benzenesulfonamide
CID 45480715
N-[3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-hydroxypropyl]benzenesulfonamide
CID 69367313
N-(2-cyclohexyl-2-hydroxyethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 56764333
2,3-dichloro-N-[3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-hydroxypropyl]benzenesulfonamide
CID 69367440
N-[(2S)-3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-hydroxypropyl]-4-phenoxybenzenesulfonamide
CID 69367910
N-(3,3,3-trifluoro-2-hydroxypropyl)-3-(trifluoromethyl)benzenesulfonamide
CID 103833984
N-[(2R)-3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-hydroxypropyl]-2,3-dimethoxybenzenesulfonamide;7-(trifluoromethyl)quinoline-5-sulfonic acid
CID 161282850
N-[[4-(2,6-dimethylpiperidine-1-carbonyl)phenyl]methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 2958275
2,6-dimethyl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine
CID 3253254
N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 90534857
1-[(2R)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-3-(naphthalen-1-ylsulfonylamino)propan-2-yl]-3-[3-(trifluoromethyl)phenyl]urea
CID 11168988
N-(2-phenylpropyl)-3-(trifluoromethyl)benzenesulfonamide
CID 43012056

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-hydroxypropyl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[(2R)-3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-hydroxypropyl]-3-(trifluoromethyl)benzenesulfonamide (CID 44526975) is N-[(2R)-3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-hydroxypropyl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[(2R)-3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-hydroxypropyl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[(2R)-3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-hydroxypropyl]-3-(trifluoromethyl)benzenesulfonamide is C[C@@H]1CCC[C@H](C)N1C[C@@H](O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[(2R)-3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-hydroxypropyl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is ZYNKPRJYGBZGAV-GUTXKFCHSA-N. The full InChI is InChI=1S/C17H25F3N2O3S/c1-12-5-3-6-13(2)22(12)11-15(23)10-21-26(24,25)16-8-4-7-14(9-16)17(18,19)20/h4,7-9,12-13,15,21,23H,3,5-6,10-11H2,1-2H3/t12-,13+,15-/m0/s1.
What are the key properties of N-[(2R)-3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-hydroxypropyl]-3-(trifluoromethyl)benzenesulfonamide?
N-[(2R)-3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-hydroxypropyl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 394.46 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-hydroxypropyl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 44526975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).