(2S)-2-(4-methoxyphenyl)-1-methyl-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine

C19H21F3N2O3S — CID 95110006

IUPAC(2S)-2-(4-methoxyphenyl)-1-methyl-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine
SMILESCOc1ccc([C@H]2CN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CCN2C)cc1
InChIInChI=1S/C19H21F3N2O3S/c1-23-10-11-24(13-18(23)14-6-8-16(27-2)9-7-14)28(25,26)17-5-3-4-15(12-17)19(20,21)22/h3-9,12,18H,10-11,13H2,1-2H3/t18-/m1/s1
InChIKeyIQICDQAFBBOZRL-GOSISDBHSA-N
MW414.45 g/mol
LogP3.39
Rot. Bonds4

About (2S)-2-(4-methoxyphenyl)-1-methyl-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine

(2S)-2-(4-methoxyphenyl)-1-methyl-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine (PubChem CID 95110006) has the molecular formula C19H21F3N2O3S and a molecular weight of 414.45 g/mol. Its IUPAC name is (2S)-2-(4-methoxyphenyl)-1-methyl-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine.

Molecular Properties

Compound Name(2S)-2-(4-methoxyphenyl)-1-methyl-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine
PubChem CID95110006
Molecular FormulaC19H21F3N2O3S
Molecular Weight414.45 g/mol
Exact Mass414.12
IUPAC Name(2S)-2-(4-methoxyphenyl)-1-methyl-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine
SMILESCOc1ccc([C@H]2CN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CCN2C)cc1
InChIInChI=1S/C19H21F3N2O3S/c1-23-10-11-24(13-18(23)14-6-8-16(27-2)9-7-14)28(25,26)17-5-3-4-15(12-17)19(20,21)22/h3-9,12,18H,10-11,13H2,1-2H3/t18-/m1/s1
InChIKeyIQICDQAFBBOZRL-GOSISDBHSA-N
XLogP3.39
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.45
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2S)-2-(4-methoxyphenyl)-1-methyl-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine 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

(2S)-4-(4-fluoro-3-methylphenyl)sulfonyl-2-(4-methoxyphenyl)-1-methylpiperazine
CID 98750168
(2S)-4-(4-methoxyphenyl)sulfonyl-1-methyl-2-phenylpiperazine
CID 94915313
4-(4-methoxyphenyl)sulfonyl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine
CID 90592055
1-methyl-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 697906
N-(4-methoxyphenyl)-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide
CID 17424565
(2S)-4-(benzenesulfonyl)-2-(4-fluorophenyl)-1-methylpiperazine
CID 94915318
1-(3-chloro-4-methoxyphenyl)sulfonyl-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 37479505
4-(3-chloro-4-methoxyphenyl)sulfonyl-2-(4-fluorophenyl)-1-methylpiperazine
CID 110602947
(3S)-1-(2,4-dimethoxyphenyl)-3-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyrrolidine-2,5-dione
CID 98395197
(6-methoxy-1H-indol-2-yl)-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone
CID 46556266
4-cyclopropylidene-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine
CID 121187233
3-(3-methoxyphenyl)-5-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]-1,2,4-oxadiazole
CID 3225979

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-methoxyphenyl)-1-methyl-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine?
The IUPAC name of (2S)-2-(4-methoxyphenyl)-1-methyl-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine (CID 95110006) is (2S)-2-(4-methoxyphenyl)-1-methyl-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine.
What is the SMILES notation for (2S)-2-(4-methoxyphenyl)-1-methyl-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine?
The canonical SMILES for (2S)-2-(4-methoxyphenyl)-1-methyl-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine is COc1ccc([C@H]2CN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CCN2C)cc1.
What is the InChIKey of (2S)-2-(4-methoxyphenyl)-1-methyl-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine?
The InChIKey is IQICDQAFBBOZRL-GOSISDBHSA-N. The full InChI is InChI=1S/C19H21F3N2O3S/c1-23-10-11-24(13-18(23)14-6-8-16(27-2)9-7-14)28(25,26)17-5-3-4-15(12-17)19(20,21)22/h3-9,12,18H,10-11,13H2,1-2H3/t18-/m1/s1.
What are the key properties of (2S)-2-(4-methoxyphenyl)-1-methyl-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine?
(2S)-2-(4-methoxyphenyl)-1-methyl-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine has a molecular weight of 414.45 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-methoxyphenyl)-1-methyl-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine is sourced from PubChem (CID 95110006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).