4-[[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]benzamide

C19H19ClF3N3O3S — CID 34686570

IUPAC4-[[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]benzamide
SMILESNC(=O)c1ccc(CN2CCN(S(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)CC2)cc1
InChIInChI=1S/C19H19ClF3N3O3S/c20-17-6-5-15(11-16(17)19(21,22)23)30(28,29)26-9-7-25(8-10-26)12-13-1-3-14(4-2-13)18(24)27/h1-6,11H,7-10,12H2,(H2,24,27)
InChIKeyJUTRUCIZFHUUKH-UHFFFAOYSA-N
MW461.89 g/mol
LogP2.96
Rot. Bonds5

About 4-[[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]benzamide

4-[[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]benzamide (PubChem CID 34686570) has the molecular formula C19H19ClF3N3O3S and a molecular weight of 461.89 g/mol. Its IUPAC name is 4-[[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]benzamide.

Molecular Properties

Compound Name4-[[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]benzamide
PubChem CID34686570
Molecular FormulaC19H19ClF3N3O3S
Molecular Weight461.89 g/mol
Exact Mass461.08
IUPAC Name4-[[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]benzamide
SMILESNC(=O)c1ccc(CN2CCN(S(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)CC2)cc1
InChIInChI=1S/C19H19ClF3N3O3S/c20-17-6-5-15(11-16(17)19(21,22)23)30(28,29)26-9-7-25(8-10-26)12-13-1-3-14(4-2-13)18(24)27/h1-6,11H,7-10,12H2,(H2,24,27)
InChIKeyJUTRUCIZFHUUKH-UHFFFAOYSA-N
XLogP2.96
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.89
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]benzamide
CID 34702019
4-[[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]benzamide
CID 34686262
1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazine
CID 46633503
1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-4-ethylpiperazine;hydrochloride
CID 17390369
4-[[4-(3-bromophenyl)sulfonylpiperazin-1-yl]methyl]benzamide
CID 34691733
[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-(4-hydroxyphenyl)methanone
CID 112767876
3-[[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 27635164
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide
CID 43922194
1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-4-[(1-cyclopropyltetrazol-5-yl)methyl]piperazine
CID 37250678
4-[[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]methyl]benzamide
CID 55472136
[1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanamine
CID 119963752
[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-[4-(dimethylamino)phenyl]methanone
CID 24537698

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]benzamide?
The IUPAC name of 4-[[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]benzamide (CID 34686570) is 4-[[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]benzamide.
What is the SMILES notation for 4-[[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]benzamide?
The canonical SMILES for 4-[[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]benzamide is NC(=O)c1ccc(CN2CCN(S(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)CC2)cc1.
What is the InChIKey of 4-[[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]benzamide?
The InChIKey is JUTRUCIZFHUUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClF3N3O3S/c20-17-6-5-15(11-16(17)19(21,22)23)30(28,29)26-9-7-25(8-10-26)12-13-1-3-14(4-2-13)18(24)27/h1-6,11H,7-10,12H2,(H2,24,27).
What are the key properties of 4-[[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]benzamide?
4-[[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]benzamide has a molecular weight of 461.89 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]benzamide is sourced from PubChem (CID 34686570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).