(2R)-2-(4-benzylsulfonylpiperazin-1-yl)-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide

C21H23ClF3N3O3S — CID 26371067

IUPAC(2R)-2-(4-benzylsulfonylpiperazin-1-yl)-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide
SMILESC[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)N1CCN(S(=O)(=O)Cc2ccccc2)CC1
InChIInChI=1S/C21H23ClF3N3O3S/c1-15(20(29)26-19-8-7-17(22)13-18(19)21(23,24)25)27-9-11-28(12-10-27)32(30,31)14-16-5-3-2-4-6-16/h2-8,13,15H,9-12,14H2,1H3,(H,26,29)/t15-/m1/s1
InChIKeyQRMLGTGMIJJYLT-OAHLLOKOSA-N
MW489.95 g/mol
LogP3.83
Rot. Bonds6

About (2R)-2-(4-benzylsulfonylpiperazin-1-yl)-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide

(2R)-2-(4-benzylsulfonylpiperazin-1-yl)-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide (PubChem CID 26371067) has the molecular formula C21H23ClF3N3O3S and a molecular weight of 489.95 g/mol. Its IUPAC name is (2R)-2-(4-benzylsulfonylpiperazin-1-yl)-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(4-benzylsulfonylpiperazin-1-yl)-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide
PubChem CID26371067
Molecular FormulaC21H23ClF3N3O3S
Molecular Weight489.95 g/mol
Exact Mass489.11
IUPAC Name(2R)-2-(4-benzylsulfonylpiperazin-1-yl)-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide
SMILESC[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)N1CCN(S(=O)(=O)Cc2ccccc2)CC1
InChIInChI=1S/C21H23ClF3N3O3S/c1-15(20(29)26-19-8-7-17(22)13-18(19)21(23,24)25)27-9-11-28(12-10-27)32(30,31)14-16-5-3-2-4-6-16/h2-8,13,15H,9-12,14H2,1H3,(H,26,29)/t15-/m1/s1
InChIKeyQRMLGTGMIJJYLT-OAHLLOKOSA-N
XLogP3.83
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.95
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-2-(4-benzylsulfonylpiperazin-1-yl)-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide 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

2-(4-benzylsulfonylpiperazin-1-yl)-N-(2,4-difluorophenyl)propanamide
CID 17487365
(2R)-2-(4-benzylsulfonylpiperazin-1-yl)-N-(2-phenylphenyl)propanamide
CID 25372783
1-[1-[4-chloro-2-(trifluoromethyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxylic acid;hydrochloride
CID 119908250
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-[2-(ethylamino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 55565860
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide
CID 55432574
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propanamide
CID 55628198
(2S)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 26301263
(2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 9442657
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(5-chloro-2-fluorophenyl)propanamide
CID 134038394
2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 55498397
(2S)-2-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-N-(2,3,4-trifluorophenyl)propanamide
CID 2574388
(2R)-2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2,5-dichlorophenyl)propanamide
CID 2690459

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-benzylsulfonylpiperazin-1-yl)-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of (2R)-2-(4-benzylsulfonylpiperazin-1-yl)-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide (CID 26371067) is (2R)-2-(4-benzylsulfonylpiperazin-1-yl)-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for (2R)-2-(4-benzylsulfonylpiperazin-1-yl)-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for (2R)-2-(4-benzylsulfonylpiperazin-1-yl)-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide is C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)N1CCN(S(=O)(=O)Cc2ccccc2)CC1.
What is the InChIKey of (2R)-2-(4-benzylsulfonylpiperazin-1-yl)-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide?
The InChIKey is QRMLGTGMIJJYLT-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H23ClF3N3O3S/c1-15(20(29)26-19-8-7-17(22)13-18(19)21(23,24)25)27-9-11-28(12-10-27)32(30,31)14-16-5-3-2-4-6-16/h2-8,13,15H,9-12,14H2,1H3,(H,26,29)/t15-/m1/s1.
What are the key properties of (2R)-2-(4-benzylsulfonylpiperazin-1-yl)-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide?
(2R)-2-(4-benzylsulfonylpiperazin-1-yl)-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide has a molecular weight of 489.95 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-benzylsulfonylpiperazin-1-yl)-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 26371067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).