3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-N-pyridin-3-ylbenzamide

C24H26N4O3S — CID 43921738

IUPAC3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-N-pyridin-3-ylbenzamide
SMILESCc1ccc(S(=O)(=O)N2CCN(Cc3cccc(C(=O)Nc4cccnc4)c3)CC2)cc1
InChIInChI=1S/C24H26N4O3S/c1-19-7-9-23(10-8-19)32(30,31)28-14-12-27(13-15-28)18-20-4-2-5-21(16-20)24(29)26-22-6-3-11-25-17-22/h2-11,16-17H,12-15,18H2,1H3,(H,26,29)
InChIKeyRQEOGIYMADABIR-UHFFFAOYSA-N
MW450.56 g/mol
LogP3.15
Rot. Bonds6

About 3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-N-pyridin-3-ylbenzamide

3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-N-pyridin-3-ylbenzamide (PubChem CID 43921738) has the molecular formula C24H26N4O3S and a molecular weight of 450.56 g/mol. Its IUPAC name is 3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-N-pyridin-3-ylbenzamide
PubChem CID43921738
Molecular FormulaC24H26N4O3S
Molecular Weight450.56 g/mol
Exact Mass450.17
IUPAC Name3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-N-pyridin-3-ylbenzamide
SMILESCc1ccc(S(=O)(=O)N2CCN(Cc3cccc(C(=O)Nc4cccnc4)c3)CC2)cc1
InChIInChI=1S/C24H26N4O3S/c1-19-7-9-23(10-8-19)32(30,31)28-14-12-27(13-15-28)18-20-4-2-5-21(16-20)24(29)26-22-6-3-11-25-17-22/h2-11,16-17H,12-15,18H2,1H3,(H,26,29)
InChIKeyRQEOGIYMADABIR-UHFFFAOYSA-N
XLogP3.15
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.56
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-N-(2,4,6-trimethylphenyl)benzamide
CID 43923750
4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-pyridin-3-ylbenzamide
CID 43921733
N-(4-acetamidophenyl)-3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]benzamide
CID 43924269
3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-(3,4-dimethylphenyl)benzamide
CID 43919286
N-[4-(azepan-1-ylsulfonyl)phenyl]-3-[(4-ethylsulfonylpiperazin-1-yl)methyl]benzamide
CID 43925182
N-[4-(azepan-1-ylsulfonyl)phenyl]-3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide
CID 43925181
methyl 3-[[4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]benzoyl]amino]benzoate
CID 38105840
methyl 4-methyl-3-[[3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]benzoyl]amino]benzoate
CID 43922648
3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-(3,4-dichlorophenyl)benzamide
CID 38096110
3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-(2,4,6-trimethylphenyl)benzamide
CID 43923749
N-[(4-chlorophenyl)methyl]-3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]benzamide
CID 43920971
3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-(3-methylsulfanylphenyl)benzamide
CID 43922873

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-N-pyridin-3-ylbenzamide?
The IUPAC name of 3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-N-pyridin-3-ylbenzamide (CID 43921738) is 3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-N-pyridin-3-ylbenzamide?
The canonical SMILES for 3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-N-pyridin-3-ylbenzamide is Cc1ccc(S(=O)(=O)N2CCN(Cc3cccc(C(=O)Nc4cccnc4)c3)CC2)cc1.
What is the InChIKey of 3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-N-pyridin-3-ylbenzamide?
The InChIKey is RQEOGIYMADABIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3S/c1-19-7-9-23(10-8-19)32(30,31)28-14-12-27(13-15-28)18-20-4-2-5-21(16-20)24(29)26-22-6-3-11-25-17-22/h2-11,16-17H,12-15,18H2,1H3,(H,26,29).
What are the key properties of 3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-N-pyridin-3-ylbenzamide?
3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-N-pyridin-3-ylbenzamide has a molecular weight of 450.56 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 43921738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).