N-(2-piperazin-1-ylethyl)-1-[2-(trifluoromethyl)phenyl]methanesulfonamide

C14H20F3N3O2S — CID 120999796

IUPACN-(2-piperazin-1-ylethyl)-1-[2-(trifluoromethyl)phenyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccccc1C(F)(F)F)NCCN1CCNCC1
InChIInChI=1S/C14H20F3N3O2S/c15-14(16,17)13-4-2-1-3-12(13)11-23(21,22)19-7-10-20-8-5-18-6-9-20/h1-4,18-19H,5-11H2
InChIKeyJEUOMPBUVFJPRE-UHFFFAOYSA-N
MW351.39 g/mol
LogP1.03
Rot. Bonds6

About N-(2-piperazin-1-ylethyl)-1-[2-(trifluoromethyl)phenyl]methanesulfonamide

N-(2-piperazin-1-ylethyl)-1-[2-(trifluoromethyl)phenyl]methanesulfonamide (PubChem CID 120999796) has the molecular formula C14H20F3N3O2S and a molecular weight of 351.39 g/mol. Its IUPAC name is N-(2-piperazin-1-ylethyl)-1-[2-(trifluoromethyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-(2-piperazin-1-ylethyl)-1-[2-(trifluoromethyl)phenyl]methanesulfonamide
PubChem CID120999796
Molecular FormulaC14H20F3N3O2S
Molecular Weight351.39 g/mol
Exact Mass351.12
IUPAC NameN-(2-piperazin-1-ylethyl)-1-[2-(trifluoromethyl)phenyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccccc1C(F)(F)F)NCCN1CCNCC1
InChIInChI=1S/C14H20F3N3O2S/c15-14(16,17)13-4-2-1-3-12(13)11-23(21,22)19-7-10-20-8-5-18-6-9-20/h1-4,18-19H,5-11H2
InChIKeyJEUOMPBUVFJPRE-UHFFFAOYSA-N
XLogP1.03
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-piperazin-1-ylethyl)-2-(trifluoromethyl)benzenesulfonamide
CID 119966447
1-phenyl-N-(2-piperazin-1-ylethyl)methanesulfonamide
CID 43599791
N-(2-aminoethyl)-1-[2-(trifluoromethyl)phenyl]methanesulfonamide
CID 120998849
N-(2-piperazin-1-ylethyl)-4-(trifluoromethyl)benzenesulfonamide
CID 119966218
1-[2-[2-(2-fluoropropan-2-yl)phenyl]ethyl]piperazine
CID 117379867
N-piperidin-3-yl-1-[2-(trifluoromethyl)phenyl]methanesulfonamide;hydrochloride
CID 120999521
1-(3-methoxyphenyl)-N-(2-piperazin-1-ylethyl)methanesulfonamide
CID 119966269
N-[2-(2-methylphenyl)ethyl]-2-piperazin-1-ylethanesulfonamide
CID 79756190
2-(2-fluorophenoxy)-N-(2-piperazin-1-ylethyl)ethanesulfonamide;hydrochloride
CID 154911727
N-[2-oxo-2-(2-piperazin-1-ylethylamino)ethyl]-2-(trifluoromethyl)benzamide
CID 119446542
3-phenyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 120999788
2-piperidin-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 60697098

Frequently Asked Questions

What is the IUPAC name of N-(2-piperazin-1-ylethyl)-1-[2-(trifluoromethyl)phenyl]methanesulfonamide?
The IUPAC name of N-(2-piperazin-1-ylethyl)-1-[2-(trifluoromethyl)phenyl]methanesulfonamide (CID 120999796) is N-(2-piperazin-1-ylethyl)-1-[2-(trifluoromethyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-(2-piperazin-1-ylethyl)-1-[2-(trifluoromethyl)phenyl]methanesulfonamide?
The canonical SMILES for N-(2-piperazin-1-ylethyl)-1-[2-(trifluoromethyl)phenyl]methanesulfonamide is O=S(=O)(Cc1ccccc1C(F)(F)F)NCCN1CCNCC1.
What is the InChIKey of N-(2-piperazin-1-ylethyl)-1-[2-(trifluoromethyl)phenyl]methanesulfonamide?
The InChIKey is JEUOMPBUVFJPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3O2S/c15-14(16,17)13-4-2-1-3-12(13)11-23(21,22)19-7-10-20-8-5-18-6-9-20/h1-4,18-19H,5-11H2.
What are the key properties of N-(2-piperazin-1-ylethyl)-1-[2-(trifluoromethyl)phenyl]methanesulfonamide?
N-(2-piperazin-1-ylethyl)-1-[2-(trifluoromethyl)phenyl]methanesulfonamide has a molecular weight of 351.39 g/mol, XLogP of 1.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperazin-1-ylethyl)-1-[2-(trifluoromethyl)phenyl]methanesulfonamide is sourced from PubChem (CID 120999796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).