3-(4-benzylpiperazin-1-yl)sulfonyl-N-(4-methylsulfonylphenyl)benzamide

C25H27N3O5S2 — CID 24818234

IUPAC3-(4-benzylpiperazin-1-yl)sulfonyl-N-(4-methylsulfonylphenyl)benzamide
SMILESCS(=O)(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCN(Cc4ccccc4)CC3)c2)cc1
InChIInChI=1S/C25H27N3O5S2/c1-34(30,31)23-12-10-22(11-13-23)26-25(29)21-8-5-9-24(18-21)35(32,33)28-16-14-27(15-17-28)19-20-6-3-2-4-7-20/h2-13,18H,14-17,19H2,1H3,(H,26,29)
InChIKeyZARFLAJVKKSPON-UHFFFAOYSA-N
MW513.64 g/mol
LogP2.85
Rot. Bonds7

About 3-(4-benzylpiperazin-1-yl)sulfonyl-N-(4-methylsulfonylphenyl)benzamide

3-(4-benzylpiperazin-1-yl)sulfonyl-N-(4-methylsulfonylphenyl)benzamide (PubChem CID 24818234) has the molecular formula C25H27N3O5S2 and a molecular weight of 513.64 g/mol. Its IUPAC name is 3-(4-benzylpiperazin-1-yl)sulfonyl-N-(4-methylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name3-(4-benzylpiperazin-1-yl)sulfonyl-N-(4-methylsulfonylphenyl)benzamide
PubChem CID24818234
Molecular FormulaC25H27N3O5S2
Molecular Weight513.64 g/mol
Exact Mass513.14
IUPAC Name3-(4-benzylpiperazin-1-yl)sulfonyl-N-(4-methylsulfonylphenyl)benzamide
SMILESCS(=O)(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCN(Cc4ccccc4)CC3)c2)cc1
InChIInChI=1S/C25H27N3O5S2/c1-34(30,31)23-12-10-22(11-13-23)26-25(29)21-8-5-9-24(18-21)35(32,33)28-16-14-27(15-17-28)19-20-6-3-2-4-7-20/h2-13,18H,14-17,19H2,1H3,(H,26,29)
InChIKeyZARFLAJVKKSPON-UHFFFAOYSA-N
XLogP2.85
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.64
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(4-benzylpiperazin-1-yl)sulfonyl-N-(4-methylsulfonylphenyl)benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-benzylpiperazin-1-yl)sulfonyl-N-(4-methylsulfonylphenyl)benzamide?
The IUPAC name of 3-(4-benzylpiperazin-1-yl)sulfonyl-N-(4-methylsulfonylphenyl)benzamide (CID 24818234) is 3-(4-benzylpiperazin-1-yl)sulfonyl-N-(4-methylsulfonylphenyl)benzamide.
What is the SMILES notation for 3-(4-benzylpiperazin-1-yl)sulfonyl-N-(4-methylsulfonylphenyl)benzamide?
The canonical SMILES for 3-(4-benzylpiperazin-1-yl)sulfonyl-N-(4-methylsulfonylphenyl)benzamide is CS(=O)(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCN(Cc4ccccc4)CC3)c2)cc1.
What is the InChIKey of 3-(4-benzylpiperazin-1-yl)sulfonyl-N-(4-methylsulfonylphenyl)benzamide?
The InChIKey is ZARFLAJVKKSPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O5S2/c1-34(30,31)23-12-10-22(11-13-23)26-25(29)21-8-5-9-24(18-21)35(32,33)28-16-14-27(15-17-28)19-20-6-3-2-4-7-20/h2-13,18H,14-17,19H2,1H3,(H,26,29).
What are the key properties of 3-(4-benzylpiperazin-1-yl)sulfonyl-N-(4-methylsulfonylphenyl)benzamide?
3-(4-benzylpiperazin-1-yl)sulfonyl-N-(4-methylsulfonylphenyl)benzamide has a molecular weight of 513.64 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzylpiperazin-1-yl)sulfonyl-N-(4-methylsulfonylphenyl)benzamide is sourced from PubChem (CID 24818234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).