3-[[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]methyl]benzamide

C20H23N3O4S — CID 55634478

IUPAC3-[[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]methyl]benzamide
SMILESCC(=O)c1ccc(S(=O)(=O)N2CCN(Cc3cccc(C(N)=O)c3)CC2)cc1
InChIInChI=1S/C20H23N3O4S/c1-15(24)17-5-7-19(8-6-17)28(26,27)23-11-9-22(10-12-23)14-16-3-2-4-18(13-16)20(21)25/h2-8,13H,9-12,14H2,1H3,(H2,21,25)
InChIKeyFHQJFZPLXWNGHM-UHFFFAOYSA-N
MW401.49 g/mol
LogP1.49
Rot. Bonds6

About 3-[[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]methyl]benzamide

3-[[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]methyl]benzamide (PubChem CID 55634478) has the molecular formula C20H23N3O4S and a molecular weight of 401.49 g/mol. Its IUPAC name is 3-[[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]methyl]benzamide.

Molecular Properties

Compound Name3-[[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]methyl]benzamide
PubChem CID55634478
Molecular FormulaC20H23N3O4S
Molecular Weight401.49 g/mol
Exact Mass401.14
IUPAC Name3-[[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]methyl]benzamide
SMILESCC(=O)c1ccc(S(=O)(=O)N2CCN(Cc3cccc(C(N)=O)c3)CC2)cc1
InChIInChI=1S/C20H23N3O4S/c1-15(24)17-5-7-19(8-6-17)28(26,27)23-11-9-22(10-12-23)14-16-3-2-4-18(13-16)20(21)25/h2-8,13H,9-12,14H2,1H3,(H2,21,25)
InChIKeyFHQJFZPLXWNGHM-UHFFFAOYSA-N
XLogP1.49
TPSA100.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[4-[(3-carbamoylphenyl)methyl]piperazin-1-yl]sulfonylbenzoate
CID 55634374
1-[4-[4-[(4-bromophenyl)methyl]piperazin-1-yl]sulfonylphenyl]ethanone
CID 31380445
3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N,N-dimethylbenzamide
CID 43918658
3-[[4-(benzenesulfonyl)-1,4-diazepan-1-yl]methyl]benzoic acid
CID 122028806
3-[[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-yl]methyl]benzamide
CID 55634422
N-(4-acetamidophenyl)-3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]benzamide
CID 43924269
4-[[4-(3-bromophenyl)sulfonylpiperazin-1-yl]methyl]benzamide
CID 34691733
N,N-dibenzyl-3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]benzamide
CID 43918944
3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-N-(2,4,6-trimethylphenyl)benzamide
CID 43923750
4-[[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]benzamide
CID 34702019
4-[[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]methyl]benzamide
CID 55472136
N-[4-(azepan-1-ylsulfonyl)phenyl]-3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide
CID 43925181

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]methyl]benzamide?
The IUPAC name of 3-[[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]methyl]benzamide (CID 55634478) is 3-[[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]methyl]benzamide.
What is the SMILES notation for 3-[[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]methyl]benzamide?
The canonical SMILES for 3-[[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]methyl]benzamide is CC(=O)c1ccc(S(=O)(=O)N2CCN(Cc3cccc(C(N)=O)c3)CC2)cc1.
What is the InChIKey of 3-[[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]methyl]benzamide?
The InChIKey is FHQJFZPLXWNGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4S/c1-15(24)17-5-7-19(8-6-17)28(26,27)23-11-9-22(10-12-23)14-16-3-2-4-18(13-16)20(21)25/h2-8,13H,9-12,14H2,1H3,(H2,21,25).
What are the key properties of 3-[[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]methyl]benzamide?
3-[[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]methyl]benzamide has a molecular weight of 401.49 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]methyl]benzamide is sourced from PubChem (CID 55634478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).