N-[2-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]phenyl]methanesulfonamide

C20H24F3N3O2S — CID 91471972

IUPACN-[2-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccccc1CCN1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C20H24F3N3O2S/c1-29(27,28)24-19-8-3-2-5-16(19)9-10-25-11-13-26(14-12-25)18-7-4-6-17(15-18)20(21,22)23/h2-8,15,24H,9-14H2,1H3
InChIKeyYYKVUXKCBSSKJJ-UHFFFAOYSA-N
MW427.49 g/mol
LogP3.44
Rot. Bonds6

About N-[2-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]phenyl]methanesulfonamide

N-[2-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]phenyl]methanesulfonamide (PubChem CID 91471972) has the molecular formula C20H24F3N3O2S and a molecular weight of 427.49 g/mol. Its IUPAC name is N-[2-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]phenyl]methanesulfonamide
PubChem CID91471972
Molecular FormulaC20H24F3N3O2S
Molecular Weight427.49 g/mol
Exact Mass427.15
IUPAC NameN-[2-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccccc1CCN1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C20H24F3N3O2S/c1-29(27,28)24-19-8-3-2-5-16(19)9-10-25-11-13-26(14-12-25)18-7-4-6-17(15-18)20(21,22)23/h2-8,15,24H,9-14H2,1H3
InChIKeyYYKVUXKCBSSKJJ-UHFFFAOYSA-N
XLogP3.44
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.49
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-phenylethyl)-4-[3-(trifluoromethyl)phenyl]piperazine;hydrochloride
CID 76852194
methyl N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]carbamate
CID 70526234
1-(2-bromoethyl)-4-[3-(trifluoromethyl)phenyl]piperazine
CID 61287958
2-methyl-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]guanidine
CID 110930670
3-(methanesulfonamido)-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]benzoic acid;2,2,2-trifluoroacetic acid
CID 146053999
N-[2-(4-phenylpiperazin-1-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 42428628
1-hexyl-4-[3-(trifluoromethyl)phenyl]piperazine
CID 3317565
N-[2-(trifluoromethyl)phenyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 22199190
2-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]isoindole-1,3-dione
CID 8547900
N-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]cyclopropanecarboxamide
CID 51114169
N-[2-(4-acetylpiperazin-1-yl)ethyl]-N'-methyl-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboximidamide
CID 111234109
1-tert-butyl-3-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]urea
CID 112840319

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]phenyl]methanesulfonamide?
The IUPAC name of N-[2-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]phenyl]methanesulfonamide (CID 91471972) is N-[2-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[2-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccccc1CCN1CCN(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of N-[2-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]phenyl]methanesulfonamide?
The InChIKey is YYKVUXKCBSSKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N3O2S/c1-29(27,28)24-19-8-3-2-5-16(19)9-10-25-11-13-26(14-12-25)18-7-4-6-17(15-18)20(21,22)23/h2-8,15,24H,9-14H2,1H3.
What are the key properties of N-[2-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]phenyl]methanesulfonamide?
N-[2-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]phenyl]methanesulfonamide has a molecular weight of 427.49 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]phenyl]methanesulfonamide is sourced from PubChem (CID 91471972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).