3-oxo-4-[4-(trifluoromethyl)phenyl]piperazine-1-sulfonamide

C11H12F3N3O3S — CID 141117890

IUPAC3-oxo-4-[4-(trifluoromethyl)phenyl]piperazine-1-sulfonamide
SMILESNS(=O)(=O)N1CCN(c2ccc(C(F)(F)F)cc2)C(=O)C1
InChIInChI=1S/C11H12F3N3O3S/c12-11(13,14)8-1-3-9(4-2-8)17-6-5-16(7-10(17)18)21(15,19)20/h1-4H,5-7H2,(H2,15,19,20)
InChIKeyYSPYLTODRNUXNF-UHFFFAOYSA-N
MW323.30 g/mol
LogP0.56
Rot. Bonds2

About 3-oxo-4-[4-(trifluoromethyl)phenyl]piperazine-1-sulfonamide

3-oxo-4-[4-(trifluoromethyl)phenyl]piperazine-1-sulfonamide (PubChem CID 141117890) has the molecular formula C11H12F3N3O3S and a molecular weight of 323.30 g/mol. Its IUPAC name is 3-oxo-4-[4-(trifluoromethyl)phenyl]piperazine-1-sulfonamide.

Molecular Properties

Compound Name3-oxo-4-[4-(trifluoromethyl)phenyl]piperazine-1-sulfonamide
PubChem CID141117890
Molecular FormulaC11H12F3N3O3S
Molecular Weight323.30 g/mol
Exact Mass323.06
IUPAC Name3-oxo-4-[4-(trifluoromethyl)phenyl]piperazine-1-sulfonamide
SMILESNS(=O)(=O)N1CCN(c2ccc(C(F)(F)F)cc2)C(=O)C1
InChIInChI=1S/C11H12F3N3O3S/c12-11(13,14)8-1-3-9(4-2-8)17-6-5-16(7-10(17)18)21(15,19)20/h1-4H,5-7H2,(H2,15,19,20)
InChIKeyYSPYLTODRNUXNF-UHFFFAOYSA-N
XLogP0.56
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.30
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S,2R,3R)-2-methyl-3-phenylcyclopropyl]-3-oxo-4-[4-(trifluoromethyl)phenyl]piperazine-1-sulfonamide
CID 67524948
1-[4-(trifluoromethyl)phenyl]azepan-2-one
CID 154102957
3-methylidene-1-[4-(trifluoromethyl)phenyl]azetidin-2-one
CID 125489925
4-amino-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 43521061
5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-3-sulfonyl chloride
CID 168712792
5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-3-sulfonyl fluoride
CID 168715991
(3R)-3-hydroxy-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 154498751
5-hydroxy-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
CID 54289121
3-cyclopropyl-1-[4-(trifluoromethyl)phenyl]piperazine-2,5-dione
CID 64956925
4-[(4-fluorophenyl)methylsulfonyl]-1-phenylpiperazin-2-one
CID 110708459
4-[2-oxo-4-(2,2,2-trifluoroacetyl)piperazin-1-yl]benzenesulfonyl chloride
CID 59465974
2,2-difluoro-1-[[4-(trifluoromethyl)phenyl]sulfanylmethyl]-6-azaspiro[2.5]octane-6-sulfonamide
CID 155256033

Frequently Asked Questions

What is the IUPAC name of 3-oxo-4-[4-(trifluoromethyl)phenyl]piperazine-1-sulfonamide?
The IUPAC name of 3-oxo-4-[4-(trifluoromethyl)phenyl]piperazine-1-sulfonamide (CID 141117890) is 3-oxo-4-[4-(trifluoromethyl)phenyl]piperazine-1-sulfonamide.
What is the SMILES notation for 3-oxo-4-[4-(trifluoromethyl)phenyl]piperazine-1-sulfonamide?
The canonical SMILES for 3-oxo-4-[4-(trifluoromethyl)phenyl]piperazine-1-sulfonamide is NS(=O)(=O)N1CCN(c2ccc(C(F)(F)F)cc2)C(=O)C1.
What is the InChIKey of 3-oxo-4-[4-(trifluoromethyl)phenyl]piperazine-1-sulfonamide?
The InChIKey is YSPYLTODRNUXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3O3S/c12-11(13,14)8-1-3-9(4-2-8)17-6-5-16(7-10(17)18)21(15,19)20/h1-4H,5-7H2,(H2,15,19,20).
What are the key properties of 3-oxo-4-[4-(trifluoromethyl)phenyl]piperazine-1-sulfonamide?
3-oxo-4-[4-(trifluoromethyl)phenyl]piperazine-1-sulfonamide has a molecular weight of 323.30 g/mol, XLogP of 0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-4-[4-(trifluoromethyl)phenyl]piperazine-1-sulfonamide is sourced from PubChem (CID 141117890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).