5-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonyl-1,3-diazinane-2,4-dione

C15H17F3N4O4S — CID 73330086

IUPAC5-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonyl-1,3-diazinane-2,4-dione
SMILESO=C1NCC(S(=O)(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)C(=O)N1
InChIInChI=1S/C15H17F3N4O4S/c16-15(17,18)10-2-1-3-11(8-10)21-4-6-22(7-5-21)27(25,26)12-9-19-14(24)20-13(12)23/h1-3,8,12H,4-7,9H2,(H2,19,20,23,24)
InChIKeyXZWNUCQDKUJJRK-UHFFFAOYSA-N
MW406.39 g/mol
LogP0.37
Rot. Bonds3

About 5-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonyl-1,3-diazinane-2,4-dione

5-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonyl-1,3-diazinane-2,4-dione (PubChem CID 73330086) has the molecular formula C15H17F3N4O4S and a molecular weight of 406.39 g/mol. Its IUPAC name is 5-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonyl-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name5-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonyl-1,3-diazinane-2,4-dione
PubChem CID73330086
Molecular FormulaC15H17F3N4O4S
Molecular Weight406.39 g/mol
Exact Mass406.09
IUPAC Name5-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonyl-1,3-diazinane-2,4-dione
SMILESO=C1NCC(S(=O)(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)C(=O)N1
InChIInChI=1S/C15H17F3N4O4S/c16-15(17,18)10-2-1-3-11(8-10)21-4-6-22(7-5-21)27(25,26)12-9-19-14(24)20-13(12)23/h1-3,8,12H,4-7,9H2,(H2,19,20,23,24)
InChIKeyXZWNUCQDKUJJRK-UHFFFAOYSA-N
XLogP0.37
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.39
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(trifluoromethyl)phenyl]-4-[4-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 32937290
1-(2,4,5-trichlorophenyl)sulfonyl-4-[3-(trifluoromethyl)phenyl]piperazine
CID 3286417
5-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylisoindole-1,3-dione
CID 56561984
5-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one
CID 53092063
5-phenyl-5-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3-diazinane-2,4,6-trione
CID 18408816
1-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 18555364
1-[[(4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 170361843
2,4-dichloro-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylphenol
CID 3810711
formaldehyde;1-[3-(trifluoromethyl)phenyl]piperazine
CID 159253416
(1S,4R)-7,7-dimethyl-1-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylmethyl]bicyclo[2.2.1]heptan-2-one
CID 1276140
3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]naphthalene-1,2,4-trione
CID 54007801
1-(4-phenoxyphenyl)sulfonyl-4-[3-(trifluoromethyl)phenyl]piperazine
CID 43909753

Frequently Asked Questions

What is the IUPAC name of 5-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonyl-1,3-diazinane-2,4-dione?
The IUPAC name of 5-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonyl-1,3-diazinane-2,4-dione (CID 73330086) is 5-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonyl-1,3-diazinane-2,4-dione.
What is the SMILES notation for 5-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonyl-1,3-diazinane-2,4-dione?
The canonical SMILES for 5-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonyl-1,3-diazinane-2,4-dione is O=C1NCC(S(=O)(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)C(=O)N1.
What is the InChIKey of 5-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonyl-1,3-diazinane-2,4-dione?
The InChIKey is XZWNUCQDKUJJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4O4S/c16-15(17,18)10-2-1-3-11(8-10)21-4-6-22(7-5-21)27(25,26)12-9-19-14(24)20-13(12)23/h1-3,8,12H,4-7,9H2,(H2,19,20,23,24).
What are the key properties of 5-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonyl-1,3-diazinane-2,4-dione?
5-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonyl-1,3-diazinane-2,4-dione has a molecular weight of 406.39 g/mol, XLogP of 0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonyl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 73330086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).