2-[4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-4-(2,4-dichlorophenyl)-1,3-thiazole

C20H15Cl3F3N3O2S2 — CID 87466647

IUPAC2-[4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-4-(2,4-dichlorophenyl)-1,3-thiazole
SMILESO=S(=O)(c1cc(C(F)(F)F)ccc1Cl)N1CCN(c2nc(-c3ccc(Cl)cc3Cl)cs2)CC1
InChIInChI=1S/C20H15Cl3F3N3O2S2/c21-13-2-3-14(16(23)10-13)17-11-32-19(27-17)28-5-7-29(8-6-28)33(30,31)18-9-12(20(24,25)26)1-4-15(18)22/h1-4,9-11H,5-8H2
InChIKeyOOFXYYWUJXSTLF-UHFFFAOYSA-N
MW556.85 g/mol
LogP6.30
Rot. Bonds4

About 2-[4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-4-(2,4-dichlorophenyl)-1,3-thiazole

2-[4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-4-(2,4-dichlorophenyl)-1,3-thiazole (PubChem CID 87466647) has the molecular formula C20H15Cl3F3N3O2S2 and a molecular weight of 556.85 g/mol. Its IUPAC name is 2-[4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-4-(2,4-dichlorophenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-[4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-4-(2,4-dichlorophenyl)-1,3-thiazole
PubChem CID87466647
Molecular FormulaC20H15Cl3F3N3O2S2
Molecular Weight556.85 g/mol
Exact Mass554.96
IUPAC Name2-[4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-4-(2,4-dichlorophenyl)-1,3-thiazole
SMILESO=S(=O)(c1cc(C(F)(F)F)ccc1Cl)N1CCN(c2nc(-c3ccc(Cl)cc3Cl)cs2)CC1
InChIInChI=1S/C20H15Cl3F3N3O2S2/c21-13-2-3-14(16(23)10-13)17-11-32-19(27-17)28-5-7-29(8-6-28)33(30,31)18-9-12(20(24,25)26)1-4-15(18)22/h1-4,9-11H,5-8H2
InChIKeyOOFXYYWUJXSTLF-UHFFFAOYSA-N
XLogP6.30
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.85
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-4-[(2,4-dichlorophenyl)methyl]-1,3-thiazole;2-[4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-4-[(2,4-dimethoxyphenyl)methyl]-1,3-thiazole
CID 87572885
4-[(3-chloro-4-fluorophenyl)methyl]-2-[4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-1,3-thiazole;2-[4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-4-[(3,5-dimethylphenyl)methyl]-1,3-thiazole
CID 87571753
4-(3-chloro-5-fluorophenyl)-2-[4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperidin-1-yl]-1,3-thiazole
CID 87466657
1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-4-methylpiperazine chloride
CID 53351945
1-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 623279
4-[(3,5-dichlorophenyl)methyl]-2-[4-(2,4-dichlorophenyl)sulfonylpiperazin-1-yl]-1,3-thiazole;2-[4-(2,4-dichlorophenyl)sulfonylpiperazin-1-yl]-4-[(3,5-difluorophenyl)methyl]-1,3-thiazole
CID 161115019
1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-4-(2-ethoxyphenyl)piperazine
CID 4993923
4-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-6-methyl-2-[3-(trifluoromethyl)phenyl]pyrimidine
CID 42802864
[4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-piperidin-1-ylmethanone
CID 24622280
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 5079389
1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylazetidin-3-ol
CID 63105321
N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 22199136

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-4-(2,4-dichlorophenyl)-1,3-thiazole?
The IUPAC name of 2-[4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-4-(2,4-dichlorophenyl)-1,3-thiazole (CID 87466647) is 2-[4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-4-(2,4-dichlorophenyl)-1,3-thiazole.
What is the SMILES notation for 2-[4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-4-(2,4-dichlorophenyl)-1,3-thiazole?
The canonical SMILES for 2-[4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-4-(2,4-dichlorophenyl)-1,3-thiazole is O=S(=O)(c1cc(C(F)(F)F)ccc1Cl)N1CCN(c2nc(-c3ccc(Cl)cc3Cl)cs2)CC1.
What is the InChIKey of 2-[4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-4-(2,4-dichlorophenyl)-1,3-thiazole?
The InChIKey is OOFXYYWUJXSTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl3F3N3O2S2/c21-13-2-3-14(16(23)10-13)17-11-32-19(27-17)28-5-7-29(8-6-28)33(30,31)18-9-12(20(24,25)26)1-4-15(18)22/h1-4,9-11H,5-8H2.
What are the key properties of 2-[4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-4-(2,4-dichlorophenyl)-1,3-thiazole?
2-[4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-4-(2,4-dichlorophenyl)-1,3-thiazole has a molecular weight of 556.85 g/mol, XLogP of 6.30, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-4-(2,4-dichlorophenyl)-1,3-thiazole is sourced from PubChem (CID 87466647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).