N-[2-(trifluoromethyl)phenyl]piperazine-1-sulfonamide

C11H14F3N3O2S — CID 28527942

IUPACN-[2-(trifluoromethyl)phenyl]piperazine-1-sulfonamide
SMILESO=S(=O)(Nc1ccccc1C(F)(F)F)N1CCNCC1
InChIInChI=1S/C11H14F3N3O2S/c12-11(13,14)9-3-1-2-4-10(9)16-20(18,19)17-7-5-15-6-8-17/h1-4,15-16H,5-8H2
InChIKeyAJWJMTUGBIALNB-UHFFFAOYSA-N
MW309.31 g/mol
LogP1.27
Rot. Bonds3

About N-[2-(trifluoromethyl)phenyl]piperazine-1-sulfonamide

N-[2-(trifluoromethyl)phenyl]piperazine-1-sulfonamide (PubChem CID 28527942) has the molecular formula C11H14F3N3O2S and a molecular weight of 309.31 g/mol. Its IUPAC name is N-[2-(trifluoromethyl)phenyl]piperazine-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(trifluoromethyl)phenyl]piperazine-1-sulfonamide
PubChem CID28527942
Molecular FormulaC11H14F3N3O2S
Molecular Weight309.31 g/mol
Exact Mass309.08
IUPAC NameN-[2-(trifluoromethyl)phenyl]piperazine-1-sulfonamide
SMILESO=S(=O)(Nc1ccccc1C(F)(F)F)N1CCNCC1
InChIInChI=1S/C11H14F3N3O2S/c12-11(13,14)9-3-1-2-4-10(9)16-20(18,19)17-7-5-15-6-8-17/h1-4,15-16H,5-8H2
InChIKeyAJWJMTUGBIALNB-UHFFFAOYSA-N
XLogP1.27
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.31
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(trifluoromethyl)phenyl]piperazine-1-sulfonamide?
The IUPAC name of N-[2-(trifluoromethyl)phenyl]piperazine-1-sulfonamide (CID 28527942) is N-[2-(trifluoromethyl)phenyl]piperazine-1-sulfonamide.
What is the SMILES notation for N-[2-(trifluoromethyl)phenyl]piperazine-1-sulfonamide?
The canonical SMILES for N-[2-(trifluoromethyl)phenyl]piperazine-1-sulfonamide is O=S(=O)(Nc1ccccc1C(F)(F)F)N1CCNCC1.
What is the InChIKey of N-[2-(trifluoromethyl)phenyl]piperazine-1-sulfonamide?
The InChIKey is AJWJMTUGBIALNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O2S/c12-11(13,14)9-3-1-2-4-10(9)16-20(18,19)17-7-5-15-6-8-17/h1-4,15-16H,5-8H2.
What are the key properties of N-[2-(trifluoromethyl)phenyl]piperazine-1-sulfonamide?
N-[2-(trifluoromethyl)phenyl]piperazine-1-sulfonamide has a molecular weight of 309.31 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(trifluoromethyl)phenyl]piperazine-1-sulfonamide is sourced from PubChem (CID 28527942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).