4-(4-benzylpiperazine-1-carbonyl)-N-(4-methoxyphenyl)benzenesulfonamide

C25H27N3O4S — CID 2098693

IUPAC4-(4-benzylpiperazine-1-carbonyl)-N-(4-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(C(=O)N3CCN(Cc4ccccc4)CC3)cc2)cc1
InChIInChI=1S/C25H27N3O4S/c1-32-23-11-9-22(10-12-23)26-33(30,31)24-13-7-21(8-14-24)25(29)28-17-15-27(16-18-28)19-20-5-3-2-4-6-20/h2-14,26H,15-19H2,1H3
InChIKeyWIRQQUZCBMIJBK-UHFFFAOYSA-N
MW465.58 g/mol
LogP3.45
Rot. Bonds7

About 4-(4-benzylpiperazine-1-carbonyl)-N-(4-methoxyphenyl)benzenesulfonamide

4-(4-benzylpiperazine-1-carbonyl)-N-(4-methoxyphenyl)benzenesulfonamide (PubChem CID 2098693) has the molecular formula C25H27N3O4S and a molecular weight of 465.58 g/mol. Its IUPAC name is 4-(4-benzylpiperazine-1-carbonyl)-N-(4-methoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(4-benzylpiperazine-1-carbonyl)-N-(4-methoxyphenyl)benzenesulfonamide
PubChem CID2098693
Molecular FormulaC25H27N3O4S
Molecular Weight465.58 g/mol
Exact Mass465.17
IUPAC Name4-(4-benzylpiperazine-1-carbonyl)-N-(4-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(C(=O)N3CCN(Cc4ccccc4)CC3)cc2)cc1
InChIInChI=1S/C25H27N3O4S/c1-32-23-11-9-22(10-12-23)26-33(30,31)24-13-7-21(8-14-24)25(29)28-17-15-27(16-18-28)19-20-5-3-2-4-6-20/h2-14,26H,15-19H2,1H3
InChIKeyWIRQQUZCBMIJBK-UHFFFAOYSA-N
XLogP3.45
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.58
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(4-benzylpiperazine-1-carbonyl)-N-(4-methoxyphenyl)benzenesulfonamide 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

1-{4-[(1-Cyclobutyl-4-piperidinyl)oxy]phenyl}4-{[4-(methylsulfonyl)phenyl]carbonyl}piperazine
CID 11533362
Nalpha-{[4-(4-aminobenzene-1-sulfonyl)-2-oxopiperazin-1-yl]acetyl}-N-(4-methoxyphenyl)-N-methyl-L-phenylalaninamide
CID 141759425
1-benzoyl-N-hydroxy-4-(4-methoxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxamide
CID 9869819
N-(2-methoxyphenyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 2083341
3,5-bis(fluoranyl)-~{N}-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 24639827
N-Furan-2-ylmethyl-4-[4-(4-methoxy-phenyl)-piperazine-1-sulfonyl]-benzamide
CID 652023
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-(4-methylsulfonylphenyl)benzamide
CID 10052433
4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 2106114
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 2340937
5-(azepane-1-carbonyl)-N-(4-methoxyphenyl)-2-methylbenzenesulfonamide
CID 2431964
[3-(2,3-Dihydroindol-1-ylsulfonyl)phenyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 2492468
4-[(2-methoxyphenyl)sulfamoyl]-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 2519306

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylpiperazine-1-carbonyl)-N-(4-methoxyphenyl)benzenesulfonamide?
The IUPAC name of 4-(4-benzylpiperazine-1-carbonyl)-N-(4-methoxyphenyl)benzenesulfonamide (CID 2098693) is 4-(4-benzylpiperazine-1-carbonyl)-N-(4-methoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 4-(4-benzylpiperazine-1-carbonyl)-N-(4-methoxyphenyl)benzenesulfonamide?
The canonical SMILES for 4-(4-benzylpiperazine-1-carbonyl)-N-(4-methoxyphenyl)benzenesulfonamide is COc1ccc(NS(=O)(=O)c2ccc(C(=O)N3CCN(Cc4ccccc4)CC3)cc2)cc1.
What is the InChIKey of 4-(4-benzylpiperazine-1-carbonyl)-N-(4-methoxyphenyl)benzenesulfonamide?
The InChIKey is WIRQQUZCBMIJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4S/c1-32-23-11-9-22(10-12-23)26-33(30,31)24-13-7-21(8-14-24)25(29)28-17-15-27(16-18-28)19-20-5-3-2-4-6-20/h2-14,26H,15-19H2,1H3.
What are the key properties of 4-(4-benzylpiperazine-1-carbonyl)-N-(4-methoxyphenyl)benzenesulfonamide?
4-(4-benzylpiperazine-1-carbonyl)-N-(4-methoxyphenyl)benzenesulfonamide has a molecular weight of 465.58 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylpiperazine-1-carbonyl)-N-(4-methoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 2098693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).