4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-3-methyl-N-(4-methylphenyl)benzenesulfonamide

C26H28FN3O4S — CID 3895993

IUPAC4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-3-methyl-N-(4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CCN(c4ccc(F)cc4)CC3)c(C)c2)cc1
InChIInChI=1S/C26H28FN3O4S/c1-19-3-7-22(8-4-19)28-35(32,33)24-11-12-25(20(2)17-24)34-18-26(31)30-15-13-29(14-16-30)23-9-5-21(27)6-10-23/h3-12,17,28H,13-16,18H2,1-2H3
InChIKeyGATUDKPFYOMBQY-UHFFFAOYSA-N
MW497.59 g/mol
LogP3.97
Rot. Bonds7

About 4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-3-methyl-N-(4-methylphenyl)benzenesulfonamide

4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-3-methyl-N-(4-methylphenyl)benzenesulfonamide (PubChem CID 3895993) has the molecular formula C26H28FN3O4S and a molecular weight of 497.59 g/mol. Its IUPAC name is 4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-3-methyl-N-(4-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-3-methyl-N-(4-methylphenyl)benzenesulfonamide
PubChem CID3895993
Molecular FormulaC26H28FN3O4S
Molecular Weight497.59 g/mol
Exact Mass497.18
IUPAC Name4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-3-methyl-N-(4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CCN(c4ccc(F)cc4)CC3)c(C)c2)cc1
InChIInChI=1S/C26H28FN3O4S/c1-19-3-7-22(8-4-19)28-35(32,33)24-11-12-25(20(2)17-24)34-18-26(31)30-15-13-29(14-16-30)23-9-5-21(27)6-10-23/h3-12,17,28H,13-16,18H2,1-2H3
InChIKeyGATUDKPFYOMBQY-UHFFFAOYSA-N
XLogP3.97
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.59
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-3-methyl-N-(4-methylphenyl)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

4-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]-3-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 4002847
2-(2,4-dimethylphenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 965458
1-[2-[2-methyl-4-[(4-methylphenyl)sulfamoyl]phenoxy]acetyl]piperidine-4-carboxamide
CID 3897663
2-(2,5-dimethylphenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 17217386
3-methyl-N-(2-methylpropyl)-4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]benzenesulfonamide
CID 2983724
2-(2,4-dimethylphenoxy)-1-[4-(4-hydroxyphenyl)piperazin-1-yl]ethanone
CID 78777639
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-methylphenyl)sulfonylethanone
CID 6459911
4-methyl-N-[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]benzenesulfonamide
CID 169371487
4-fluoro-N-[4-(4-octanoylpiperazin-1-yl)phenyl]benzenesulfonamide
CID 42767223
4-[2-(azepan-1-yl)-2-oxoethoxy]-3-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 2221977
N-(3,5-dimethylphenyl)-4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]benzenesulfonamide
CID 4010850
2-(2-bromo-4-fluorophenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 9081184

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-3-methyl-N-(4-methylphenyl)benzenesulfonamide?
The IUPAC name of 4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-3-methyl-N-(4-methylphenyl)benzenesulfonamide (CID 3895993) is 4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-3-methyl-N-(4-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-3-methyl-N-(4-methylphenyl)benzenesulfonamide?
The canonical SMILES for 4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-3-methyl-N-(4-methylphenyl)benzenesulfonamide is Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CCN(c4ccc(F)cc4)CC3)c(C)c2)cc1.
What is the InChIKey of 4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-3-methyl-N-(4-methylphenyl)benzenesulfonamide?
The InChIKey is GATUDKPFYOMBQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN3O4S/c1-19-3-7-22(8-4-19)28-35(32,33)24-11-12-25(20(2)17-24)34-18-26(31)30-15-13-29(14-16-30)23-9-5-21(27)6-10-23/h3-12,17,28H,13-16,18H2,1-2H3.
What are the key properties of 4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-3-methyl-N-(4-methylphenyl)benzenesulfonamide?
4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-3-methyl-N-(4-methylphenyl)benzenesulfonamide has a molecular weight of 497.59 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-3-methyl-N-(4-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 3895993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).