N-[2-(3-chlorophenyl)-4-[4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl]butyl]-N-methylbenzenesulfonamide;hydrochloride

C29H32Cl3F3N2O3S — CID 23285332

IUPACN-[2-(3-chlorophenyl)-4-[4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl]butyl]-N-methylbenzenesulfonamide;hydrochloride
SMILESCN(CC(CCN1CCC(O)(c2ccc(Cl)c(C(F)(F)F)c2)CC1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1.Cl
InChIInChI=1S/C29H31Cl2F3N2O3S.ClH/c1-35(40(38,39)25-8-3-2-4-9-25)20-22(21-6-5-7-24(30)18-21)12-15-36-16-13-28(37,14-17-36)23-10-11-27(31)26(19-23)29(32,33)34;/h2-11,18-19,22,37H,12-17,20H2,1H3;1H
InChIKeyDROWDECPVVSNDP-UHFFFAOYSA-N
MW652.01 g/mol
LogP7.21
Rot. Bonds9

About N-[2-(3-chlorophenyl)-4-[4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl]butyl]-N-methylbenzenesulfonamide;hydrochloride

N-[2-(3-chlorophenyl)-4-[4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl]butyl]-N-methylbenzenesulfonamide;hydrochloride (PubChem CID 23285332) has the molecular formula C29H32Cl3F3N2O3S and a molecular weight of 652.01 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)-4-[4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl]butyl]-N-methylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)-4-[4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl]butyl]-N-methylbenzenesulfonamide;hydrochloride
PubChem CID23285332
Molecular FormulaC29H32Cl3F3N2O3S
Molecular Weight652.01 g/mol
Exact Mass650.12
IUPAC NameN-[2-(3-chlorophenyl)-4-[4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl]butyl]-N-methylbenzenesulfonamide;hydrochloride
SMILESCN(CC(CCN1CCC(O)(c2ccc(Cl)c(C(F)(F)F)c2)CC1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1.Cl
InChIInChI=1S/C29H31Cl2F3N2O3S.ClH/c1-35(40(38,39)25-8-3-2-4-9-25)20-22(21-6-5-7-24(30)18-21)12-15-36-16-13-28(37,14-17-36)23-10-11-27(31)26(19-23)29(32,33)34;/h2-11,18-19,22,37H,12-17,20H2,1H3;1H
InChIKeyDROWDECPVVSNDP-UHFFFAOYSA-N
XLogP7.21
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.01
LogP ≤ 57.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(3-chlorophenyl)-4-[4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl]butyl]-N-methylbenzenesulfonamide;hydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)-4-[4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl]butyl]-N-methylbenzenesulfonamide;hydrochloride?
The IUPAC name of N-[2-(3-chlorophenyl)-4-[4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl]butyl]-N-methylbenzenesulfonamide;hydrochloride (CID 23285332) is N-[2-(3-chlorophenyl)-4-[4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl]butyl]-N-methylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-[2-(3-chlorophenyl)-4-[4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl]butyl]-N-methylbenzenesulfonamide;hydrochloride?
The canonical SMILES for N-[2-(3-chlorophenyl)-4-[4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl]butyl]-N-methylbenzenesulfonamide;hydrochloride is CN(CC(CCN1CCC(O)(c2ccc(Cl)c(C(F)(F)F)c2)CC1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1.Cl.
What is the InChIKey of N-[2-(3-chlorophenyl)-4-[4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl]butyl]-N-methylbenzenesulfonamide;hydrochloride?
The InChIKey is DROWDECPVVSNDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31Cl2F3N2O3S.ClH/c1-35(40(38,39)25-8-3-2-4-9-25)20-22(21-6-5-7-24(30)18-21)12-15-36-16-13-28(37,14-17-36)23-10-11-27(31)26(19-23)29(32,33)34;/h2-11,18-19,22,37H,12-17,20H2,1H3;1H.
What are the key properties of N-[2-(3-chlorophenyl)-4-[4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl]butyl]-N-methylbenzenesulfonamide;hydrochloride?
N-[2-(3-chlorophenyl)-4-[4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl]butyl]-N-methylbenzenesulfonamide;hydrochloride has a molecular weight of 652.01 g/mol, XLogP of 7.21, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)-4-[4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl]butyl]-N-methylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 23285332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).