4-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-3-(trifluoromethyl)benzenesulfonamide

C19H21F3N2O3S — CID 133290641

IUPAC4-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-3-(trifluoromethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N2CCC(C(O)c3ccccc3)CC2)c(C(F)(F)F)c1
InChIInChI=1S/C19H21F3N2O3S/c20-19(21,22)16-12-15(28(23,26)27)6-7-17(16)24-10-8-14(9-11-24)18(25)13-4-2-1-3-5-13/h1-7,12,14,18,25H,8-11H2,(H2,23,26,27)
InChIKeyUEDHRVPRRSVSRE-UHFFFAOYSA-N
MW414.45 g/mol
LogP3.30
Rot. Bonds4

About 4-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-3-(trifluoromethyl)benzenesulfonamide

4-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 133290641) has the molecular formula C19H21F3N2O3S and a molecular weight of 414.45 g/mol. Its IUPAC name is 4-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID133290641
Molecular FormulaC19H21F3N2O3S
Molecular Weight414.45 g/mol
Exact Mass414.12
IUPAC Name4-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-3-(trifluoromethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N2CCC(C(O)c3ccccc3)CC2)c(C(F)(F)F)c1
InChIInChI=1S/C19H21F3N2O3S/c20-19(21,22)16-12-15(28(23,26)27)6-7-17(16)24-10-8-14(9-11-24)18(25)13-4-2-1-3-5-13/h1-7,12,14,18,25H,8-11H2,(H2,23,26,27)
InChIKeyUEDHRVPRRSVSRE-UHFFFAOYSA-N
XLogP3.30
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.45
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-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

4-[4-(4-methylbenzoyl)piperidin-1-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 133291317
4-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 133349622
4-(1,3,3a,4,7,7a-hexahydroisoindol-2-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 133322846
2-[1-[4-sulfamoyl-2-(trifluoromethyl)phenyl]piperidin-3-yl]acetamide
CID 133355915
2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-5-nitrobenzonitrile
CID 24651458
3-fluoro-4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]benzenesulfonamide
CID 112627808
2-[3-[hydroxy(phenyl)methyl]piperidin-1-yl]pyrimidine-5-sulfonamide
CID 167752090
[4-fluoro-3-(trifluoromethyl)phenyl]-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]methanone
CID 95193737
4-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 133290509
5-chloro-2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]benzonitrile
CID 133299526
4-[hydroxy(phenyl)methyl]-N-methylpiperidine-1-sulfonamide
CID 167877092
2-[4-[(S)-(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]pyridine-3-sulfonamide
CID 96532543

Frequently Asked Questions

What is the IUPAC name of 4-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-3-(trifluoromethyl)benzenesulfonamide (CID 133290641) is 4-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-3-(trifluoromethyl)benzenesulfonamide is NS(=O)(=O)c1ccc(N2CCC(C(O)c3ccccc3)CC2)c(C(F)(F)F)c1.
What is the InChIKey of 4-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is UEDHRVPRRSVSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O3S/c20-19(21,22)16-12-15(28(23,26)27)6-7-17(16)24-10-8-14(9-11-24)18(25)13-4-2-1-3-5-13/h1-7,12,14,18,25H,8-11H2,(H2,23,26,27).
What are the key properties of 4-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-3-(trifluoromethyl)benzenesulfonamide?
4-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 414.45 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 133290641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).