(2R)-2-methyl-1-(3-methylphenyl)-4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazine

C19H21F3N2O3S — CID 7042227

IUPAC(2R)-2-methyl-1-(3-methylphenyl)-4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazine
SMILESCc1cccc(N2CCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)C[C@H]2C)c1
InChIInChI=1S/C19H21F3N2O3S/c1-14-4-3-5-16(12-14)24-11-10-23(13-15(24)2)28(25,26)18-8-6-17(7-9-18)27-19(20,21)22/h3-9,12,15H,10-11,13H2,1-2H3/t15-/m1/s1
InChIKeyAXJUEXUSWQJIRF-OAHLLOKOSA-N
MW414.45 g/mol
LogP3.79
Rot. Bonds4

About (2R)-2-methyl-1-(3-methylphenyl)-4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazine

(2R)-2-methyl-1-(3-methylphenyl)-4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazine (PubChem CID 7042227) has the molecular formula C19H21F3N2O3S and a molecular weight of 414.45 g/mol. Its IUPAC name is (2R)-2-methyl-1-(3-methylphenyl)-4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazine.

Molecular Properties

Compound Name(2R)-2-methyl-1-(3-methylphenyl)-4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazine
PubChem CID7042227
Molecular FormulaC19H21F3N2O3S
Molecular Weight414.45 g/mol
Exact Mass414.12
IUPAC Name(2R)-2-methyl-1-(3-methylphenyl)-4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazine
SMILESCc1cccc(N2CCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)C[C@H]2C)c1
InChIInChI=1S/C19H21F3N2O3S/c1-14-4-3-5-16(12-14)24-11-10-23(13-15(24)2)28(25,26)18-8-6-17(7-9-18)27-19(20,21)22/h3-9,12,15H,10-11,13H2,1-2H3/t15-/m1/s1
InChIKeyAXJUEXUSWQJIRF-OAHLLOKOSA-N
XLogP3.79
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 ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(benzenesulfonyl)-2-methyl-1-(3-methylphenyl)piperazine
CID 3406889
4-(3-chloro-4-fluorophenyl)sulfonyl-2-methyl-1-(3-methylphenyl)piperazine
CID 3315256
4-(3-bromophenyl)sulfonyl-2-methyl-1-(3-methylphenyl)piperazine
CID 3393919
1,4-dimethyl-6-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonylquinoxaline-2,3-dione
CID 3244269
4-(2-fluorophenyl)sulfonyl-2-methyl-1-(3-methylphenyl)piperazine
CID 23741901
2-methyl-4-[4-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonylphenyl]-1,3-oxazole
CID 92505236
2-methyl-1-(3-methylphenyl)-4-thiophen-2-ylsulfonylpiperazine
CID 4538990
3-methyl-5-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonyl-1-benzofuran-2-carboxylic acid
CID 4286746
6-methyl-5-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione
CID 4071561
2-fluoro-N-(2-methoxyphenyl)-5-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonylbenzamide
CID 98529963
4-(4-iodophenyl)sulfonyl-2-methyl-1-(4-methylphenyl)piperazine
CID 5154775
4-(4-iodophenyl)sulfonyl-1-(4-methoxyphenyl)-2-methylpiperazine
CID 5167462

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-1-(3-methylphenyl)-4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazine?
The IUPAC name of (2R)-2-methyl-1-(3-methylphenyl)-4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazine (CID 7042227) is (2R)-2-methyl-1-(3-methylphenyl)-4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazine.
What is the SMILES notation for (2R)-2-methyl-1-(3-methylphenyl)-4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazine?
The canonical SMILES for (2R)-2-methyl-1-(3-methylphenyl)-4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazine is Cc1cccc(N2CCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)C[C@H]2C)c1.
What is the InChIKey of (2R)-2-methyl-1-(3-methylphenyl)-4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazine?
The InChIKey is AXJUEXUSWQJIRF-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H21F3N2O3S/c1-14-4-3-5-16(12-14)24-11-10-23(13-15(24)2)28(25,26)18-8-6-17(7-9-18)27-19(20,21)22/h3-9,12,15H,10-11,13H2,1-2H3/t15-/m1/s1.
What are the key properties of (2R)-2-methyl-1-(3-methylphenyl)-4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazine?
(2R)-2-methyl-1-(3-methylphenyl)-4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazine has a molecular weight of 414.45 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-1-(3-methylphenyl)-4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazine is sourced from PubChem (CID 7042227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).