[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-[4-(2,2,2-trifluoroethoxymethyl)phenyl]methanone

C20H19F5N2O4S — CID 16581811

IUPAC[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-[4-(2,2,2-trifluoroethoxymethyl)phenyl]methanone
SMILESO=C(c1ccc(COCC(F)(F)F)cc1)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1
InChIInChI=1S/C20H19F5N2O4S/c21-16-2-1-3-17(22)18(16)32(29,30)27-10-8-26(9-11-27)19(28)15-6-4-14(5-7-15)12-31-13-20(23,24)25/h1-7H,8-13H2
InChIKeyARHSXIZBKXIZMH-UHFFFAOYSA-N
MW478.44 g/mol
LogP3.19
Rot. Bonds6

About [4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-[4-(2,2,2-trifluoroethoxymethyl)phenyl]methanone

[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-[4-(2,2,2-trifluoroethoxymethyl)phenyl]methanone (PubChem CID 16581811) has the molecular formula C20H19F5N2O4S and a molecular weight of 478.44 g/mol. Its IUPAC name is [4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-[4-(2,2,2-trifluoroethoxymethyl)phenyl]methanone.

Molecular Properties

Compound Name[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-[4-(2,2,2-trifluoroethoxymethyl)phenyl]methanone
PubChem CID16581811
Molecular FormulaC20H19F5N2O4S
Molecular Weight478.44 g/mol
Exact Mass478.10
IUPAC Name[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-[4-(2,2,2-trifluoroethoxymethyl)phenyl]methanone
SMILESO=C(c1ccc(COCC(F)(F)F)cc1)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1
InChIInChI=1S/C20H19F5N2O4S/c21-16-2-1-3-17(22)18(16)32(29,30)27-10-8-26(9-11-27)19(28)15-6-4-14(5-7-15)12-31-13-20(23,24)25/h1-7H,8-13H2
InChIKeyARHSXIZBKXIZMH-UHFFFAOYSA-N
XLogP3.19
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.44
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-[4-(2,2,2-trifluoroethoxymethyl)phenyl]methanone with MolForge

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Related Compounds

[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-[4-(methoxymethyl)phenyl]methanone
CID 17483441
[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-(4-prop-2-enoxyphenyl)methanone
CID 43059571
[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-thiophen-3-ylmethanone
CID 17485336
[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone
CID 31927908
(3-bromophenyl)-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 34518015
6-[4-(2,6-difluorophenyl)sulfonylpiperazine-1-carbonyl]-1,4-dihydroquinoxaline-2,3-dione
CID 166185922
(3-bromo-5-fluorophenyl)-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 55704253
N-phenyl-2-[4-[4-(2,2,2-trifluoroethoxymethyl)benzoyl]piperazin-1-yl]acetamide
CID 31349892
(4-chlorophenyl)-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]methanone
CID 26181355
1-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]prop-2-yn-1-one
CID 154704989
(3-chloro-4,5-dimethoxyphenyl)-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 38565027
[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-[4-(methoxymethyl)phenyl]methanone
CID 8638842

Frequently Asked Questions

What is the IUPAC name of [4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-[4-(2,2,2-trifluoroethoxymethyl)phenyl]methanone?
The IUPAC name of [4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-[4-(2,2,2-trifluoroethoxymethyl)phenyl]methanone (CID 16581811) is [4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-[4-(2,2,2-trifluoroethoxymethyl)phenyl]methanone.
What is the SMILES notation for [4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-[4-(2,2,2-trifluoroethoxymethyl)phenyl]methanone?
The canonical SMILES for [4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-[4-(2,2,2-trifluoroethoxymethyl)phenyl]methanone is O=C(c1ccc(COCC(F)(F)F)cc1)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1.
What is the InChIKey of [4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-[4-(2,2,2-trifluoroethoxymethyl)phenyl]methanone?
The InChIKey is ARHSXIZBKXIZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F5N2O4S/c21-16-2-1-3-17(22)18(16)32(29,30)27-10-8-26(9-11-27)19(28)15-6-4-14(5-7-15)12-31-13-20(23,24)25/h1-7H,8-13H2.
What are the key properties of [4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-[4-(2,2,2-trifluoroethoxymethyl)phenyl]methanone?
[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-[4-(2,2,2-trifluoroethoxymethyl)phenyl]methanone has a molecular weight of 478.44 g/mol, XLogP of 3.19, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-[4-(2,2,2-trifluoroethoxymethyl)phenyl]methanone is sourced from PubChem (CID 16581811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).