N-(2-piperazin-1-ylethyl)-2-(trifluoromethyl)benzenesulfonamide

C13H18F3N3O2S — CID 119966447

IUPACN-(2-piperazin-1-ylethyl)-2-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCCN1CCNCC1)c1ccccc1C(F)(F)F
InChIInChI=1S/C13H18F3N3O2S/c14-13(15,16)11-3-1-2-4-12(11)22(20,21)18-7-10-19-8-5-17-6-9-19/h1-4,17-18H,5-10H2
InChIKeyXPYDODXHKKCQRK-UHFFFAOYSA-N
MW337.37 g/mol
LogP0.89
Rot. Bonds5

About N-(2-piperazin-1-ylethyl)-2-(trifluoromethyl)benzenesulfonamide

N-(2-piperazin-1-ylethyl)-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 119966447) has the molecular formula C13H18F3N3O2S and a molecular weight of 337.37 g/mol. Its IUPAC name is N-(2-piperazin-1-ylethyl)-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-piperazin-1-ylethyl)-2-(trifluoromethyl)benzenesulfonamide
PubChem CID119966447
Molecular FormulaC13H18F3N3O2S
Molecular Weight337.37 g/mol
Exact Mass337.11
IUPAC NameN-(2-piperazin-1-ylethyl)-2-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCCN1CCNCC1)c1ccccc1C(F)(F)F
InChIInChI=1S/C13H18F3N3O2S/c14-13(15,16)11-3-1-2-4-12(11)22(20,21)18-7-10-19-8-5-17-6-9-19/h1-4,17-18H,5-10H2
InChIKeyXPYDODXHKKCQRK-UHFFFAOYSA-N
XLogP0.89
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.37
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-piperazin-1-ylethyl)-1-[2-(trifluoromethyl)phenyl]methanesulfonamide
CID 120999796
2-fluoro-3-methyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 120707517
N-(2-piperazin-1-ylethyl)-4-(trifluoromethyl)benzenesulfonamide
CID 119966218
2-methylsulfanyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride
CID 120707499
2-fluoro-N-(2-piperazin-1-ylethyl)-5-(trifluoromethyl)benzenesulfonamide;dihydrochloride
CID 119966645
3-bromo-2-chloro-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride
CID 120999791
N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide
CID 114694184
3-fluoro-2-nitro-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride
CID 119966171
2-chloro-5-fluoro-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 115752213
N-(3-piperazin-1-ylpropyl)-3-(trifluoromethyl)pyridin-2-amine
CID 43443470
1-phenyl-N-(2-piperazin-1-ylethyl)methanesulfonamide
CID 43599791
N-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-(trifluoromethyl)benzenesulfonamide
CID 21091930

Frequently Asked Questions

What is the IUPAC name of N-(2-piperazin-1-ylethyl)-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(2-piperazin-1-ylethyl)-2-(trifluoromethyl)benzenesulfonamide (CID 119966447) is N-(2-piperazin-1-ylethyl)-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(2-piperazin-1-ylethyl)-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(2-piperazin-1-ylethyl)-2-(trifluoromethyl)benzenesulfonamide is O=S(=O)(NCCN1CCNCC1)c1ccccc1C(F)(F)F.
What is the InChIKey of N-(2-piperazin-1-ylethyl)-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is XPYDODXHKKCQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O2S/c14-13(15,16)11-3-1-2-4-12(11)22(20,21)18-7-10-19-8-5-17-6-9-19/h1-4,17-18H,5-10H2.
What are the key properties of N-(2-piperazin-1-ylethyl)-2-(trifluoromethyl)benzenesulfonamide?
N-(2-piperazin-1-ylethyl)-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 337.37 g/mol, XLogP of 0.89, 5 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)-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 119966447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).