1-(2,4-dimethylphenyl)-4-[3-(trifluoromethoxy)phenyl]sulfonylpiperazine

C19H21F3N2O3S — CID 167932774

IUPAC1-(2,4-dimethylphenyl)-4-[3-(trifluoromethoxy)phenyl]sulfonylpiperazine
SMILESCc1ccc(N2CCN(S(=O)(=O)c3cccc(OC(F)(F)F)c3)CC2)c(C)c1
InChIInChI=1S/C19H21F3N2O3S/c1-14-6-7-18(15(2)12-14)23-8-10-24(11-9-23)28(25,26)17-5-3-4-16(13-17)27-19(20,21)22/h3-7,12-13H,8-11H2,1-2H3
InChIKeyIQKZEPPEJHJYMY-UHFFFAOYSA-N
MW414.45 g/mol
LogP3.71
Rot. Bonds4

About 1-(2,4-dimethylphenyl)-4-[3-(trifluoromethoxy)phenyl]sulfonylpiperazine

1-(2,4-dimethylphenyl)-4-[3-(trifluoromethoxy)phenyl]sulfonylpiperazine (PubChem CID 167932774) has the molecular formula C19H21F3N2O3S and a molecular weight of 414.45 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-4-[3-(trifluoromethoxy)phenyl]sulfonylpiperazine.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-4-[3-(trifluoromethoxy)phenyl]sulfonylpiperazine
PubChem CID167932774
Molecular FormulaC19H21F3N2O3S
Molecular Weight414.45 g/mol
Exact Mass414.12
IUPAC Name1-(2,4-dimethylphenyl)-4-[3-(trifluoromethoxy)phenyl]sulfonylpiperazine
SMILESCc1ccc(N2CCN(S(=O)(=O)c3cccc(OC(F)(F)F)c3)CC2)c(C)c1
InChIInChI=1S/C19H21F3N2O3S/c1-14-6-7-18(15(2)12-14)23-8-10-24(11-9-23)28(25,26)17-5-3-4-16(13-17)27-19(20,21)22/h3-7,12-13H,8-11H2,1-2H3
InChIKeyIQKZEPPEJHJYMY-UHFFFAOYSA-N
XLogP3.71
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 ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-dimethylphenyl)-4-(3,4-dimethylphenyl)sulfonylpiperazine
CID 1293254
1-(2,5-dimethylphenyl)-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 5006087
1-(2,5-dimethylphenyl)-4-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperazine
CID 650477
(4-methylphenyl)-[1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]methanone
CID 55913562
N-[(2,4-dimethylphenyl)methyl]-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide
CID 55582473
1-[1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]ethanamine
CID 119975025
N-methyl-N-(4-methylphenyl)-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide
CID 52851039
1-(1,3-benzodioxol-5-ylsulfonyl)-4-(2,4-dimethylphenyl)piperazine
CID 113075406
(3S)-3-methyl-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperazine
CID 104976476
3-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonylbenzonitrile
CID 3714109
1-(2,5-dimethylphenyl)-4-(4-methylphenyl)sulfonylpiperazine
CID 785540
N-[1-(4-methylphenyl)ethyl]-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide
CID 46673499

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-4-[3-(trifluoromethoxy)phenyl]sulfonylpiperazine?
The IUPAC name of 1-(2,4-dimethylphenyl)-4-[3-(trifluoromethoxy)phenyl]sulfonylpiperazine (CID 167932774) is 1-(2,4-dimethylphenyl)-4-[3-(trifluoromethoxy)phenyl]sulfonylpiperazine.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-4-[3-(trifluoromethoxy)phenyl]sulfonylpiperazine?
The canonical SMILES for 1-(2,4-dimethylphenyl)-4-[3-(trifluoromethoxy)phenyl]sulfonylpiperazine is Cc1ccc(N2CCN(S(=O)(=O)c3cccc(OC(F)(F)F)c3)CC2)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-4-[3-(trifluoromethoxy)phenyl]sulfonylpiperazine?
The InChIKey is IQKZEPPEJHJYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O3S/c1-14-6-7-18(15(2)12-14)23-8-10-24(11-9-23)28(25,26)17-5-3-4-16(13-17)27-19(20,21)22/h3-7,12-13H,8-11H2,1-2H3.
What are the key properties of 1-(2,4-dimethylphenyl)-4-[3-(trifluoromethoxy)phenyl]sulfonylpiperazine?
1-(2,4-dimethylphenyl)-4-[3-(trifluoromethoxy)phenyl]sulfonylpiperazine has a molecular weight of 414.45 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-4-[3-(trifluoromethoxy)phenyl]sulfonylpiperazine is sourced from PubChem (CID 167932774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).