[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone

C18H21F5N2O3S — CID 55790018

IUPAC[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone
SMILESO=C(C1CCCCC1C(F)(F)F)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1
InChIInChI=1S/C18H21F5N2O3S/c19-12-5-6-15(20)16(11-12)29(27,28)25-9-7-24(8-10-25)17(26)13-3-1-2-4-14(13)18(21,22)23/h5-6,11,13-14H,1-4,7-10H2
InChIKeyGHEBTIVGLNPFIB-UHFFFAOYSA-N
MW440.43 g/mol
LogP3.17
Rot. Bonds3

About [4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone

[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone (PubChem CID 55790018) has the molecular formula C18H21F5N2O3S and a molecular weight of 440.43 g/mol. Its IUPAC name is [4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone.

Molecular Properties

Compound Name[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone
PubChem CID55790018
Molecular FormulaC18H21F5N2O3S
Molecular Weight440.43 g/mol
Exact Mass440.12
IUPAC Name[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone
SMILESO=C(C1CCCCC1C(F)(F)F)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1
InChIInChI=1S/C18H21F5N2O3S/c19-12-5-6-15(20)16(11-12)29(27,28)25-9-7-24(8-10-25)17(26)13-3-1-2-4-14(13)18(21,22)23/h5-6,11,13-14H,1-4,7-10H2
InChIKeyGHEBTIVGLNPFIB-UHFFFAOYSA-N
XLogP3.17
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.43
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cyclohexyl-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 9370793
[(1R)-cyclohex-3-en-1-yl]-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 40818302
[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 55558546
tert-butyl 4-[1-(2,5-difluorophenyl)sulfonylpiperidine-4-carbonyl]piperazine-1-carboxylate
CID 46511637
1-[2-(trifluoromethyl)cyclohexanecarbonyl]piperidin-4-one
CID 113343194
N-[(2R)-1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide
CID 41356873
[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-(2-hydroxyphenyl)methanone
CID 41275092
[4-(2,5-difluorophenyl)sulfonyl-1,4-diazepan-1-yl]-(1H-pyrrol-3-yl)methanone
CID 110810580
2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 11939718
1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-3-(oxolan-2-yl)propan-1-one
CID 55607255
1-(2,5-difluorophenyl)sulfonyl-4-(4-fluorophenyl)sulfonyl-1,4-diazepane
CID 38257109
[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 51212660

Frequently Asked Questions

What is the IUPAC name of [4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone?
The IUPAC name of [4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone (CID 55790018) is [4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone.
What is the SMILES notation for [4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone?
The canonical SMILES for [4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone is O=C(C1CCCCC1C(F)(F)F)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1.
What is the InChIKey of [4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone?
The InChIKey is GHEBTIVGLNPFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F5N2O3S/c19-12-5-6-15(20)16(11-12)29(27,28)25-9-7-24(8-10-25)17(26)13-3-1-2-4-14(13)18(21,22)23/h5-6,11,13-14H,1-4,7-10H2.
What are the key properties of [4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone?
[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone has a molecular weight of 440.43 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone is sourced from PubChem (CID 55790018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).