[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-[4-(dimethylamino)phenyl]methanone

C20H21ClF3N3O3S — CID 24537698

IUPAC[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-[4-(dimethylamino)phenyl]methanone
SMILESCN(C)c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)CC2)cc1
InChIInChI=1S/C20H21ClF3N3O3S/c1-25(2)15-5-3-14(4-6-15)19(28)26-9-11-27(12-10-26)31(29,30)16-7-8-18(21)17(13-16)20(22,23)24/h3-8,13H,9-12H2,1-2H3
InChIKeyKWYIGEBCOVMKIM-UHFFFAOYSA-N
MW475.92 g/mol
LogP3.57
Rot. Bonds4

About [4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-[4-(dimethylamino)phenyl]methanone

[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-[4-(dimethylamino)phenyl]methanone (PubChem CID 24537698) has the molecular formula C20H21ClF3N3O3S and a molecular weight of 475.92 g/mol. Its IUPAC name is [4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-[4-(dimethylamino)phenyl]methanone.

Molecular Properties

Compound Name[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-[4-(dimethylamino)phenyl]methanone
PubChem CID24537698
Molecular FormulaC20H21ClF3N3O3S
Molecular Weight475.92 g/mol
Exact Mass475.09
IUPAC Name[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-[4-(dimethylamino)phenyl]methanone
SMILESCN(C)c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)CC2)cc1
InChIInChI=1S/C20H21ClF3N3O3S/c1-25(2)15-5-3-14(4-6-15)19(28)26-9-11-27(12-10-26)31(29,30)16-7-8-18(21)17(13-16)20(22,23)24/h3-8,13H,9-12H2,1-2H3
InChIKeyKWYIGEBCOVMKIM-UHFFFAOYSA-N
XLogP3.57
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.92
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-[4-(dimethylamino)phenyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-(4-hydroxyphenyl)methanone
CID 112767876
[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-(2,6-difluorophenyl)methanone
CID 36928658
N-[2-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide
CID 55605472
[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-quinoxalin-2-ylmethanone
CID 34275124
[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-[4-(dimethylamino)phenyl]methanone
CID 9277342
[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 7408927
[4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]-(4-methylphenyl)methanone
CID 39696465
1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-4-ethylpiperazine;hydrochloride
CID 17390369
4-[[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]benzamide
CID 34686570
[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-phenylmethanone
CID 23853559
1-(azepan-1-yl)-2-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propan-1-one
CID 46631714
[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 26204325

Frequently Asked Questions

What is the IUPAC name of [4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-[4-(dimethylamino)phenyl]methanone?
The IUPAC name of [4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-[4-(dimethylamino)phenyl]methanone (CID 24537698) is [4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-[4-(dimethylamino)phenyl]methanone.
What is the SMILES notation for [4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-[4-(dimethylamino)phenyl]methanone?
The canonical SMILES for [4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-[4-(dimethylamino)phenyl]methanone is CN(C)c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)CC2)cc1.
What is the InChIKey of [4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-[4-(dimethylamino)phenyl]methanone?
The InChIKey is KWYIGEBCOVMKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClF3N3O3S/c1-25(2)15-5-3-14(4-6-15)19(28)26-9-11-27(12-10-26)31(29,30)16-7-8-18(21)17(13-16)20(22,23)24/h3-8,13H,9-12H2,1-2H3.
What are the key properties of [4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-[4-(dimethylamino)phenyl]methanone?
[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-[4-(dimethylamino)phenyl]methanone has a molecular weight of 475.92 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-[4-(dimethylamino)phenyl]methanone is sourced from PubChem (CID 24537698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).