3-(4-butylsulfonylpiperazin-1-yl)-N-[2-(4-fluorophenyl)ethyl]-4-methoxybenzenesulfonamide

C23H32FN3O5S2 — CID 46088808

IUPAC3-(4-butylsulfonylpiperazin-1-yl)-N-[2-(4-fluorophenyl)ethyl]-4-methoxybenzenesulfonamide
SMILESCCCCS(=O)(=O)N1CCN(c2cc(S(=O)(=O)NCCc3ccc(F)cc3)ccc2OC)CC1
InChIInChI=1S/C23H32FN3O5S2/c1-3-4-17-33(28,29)27-15-13-26(14-16-27)22-18-21(9-10-23(22)32-2)34(30,31)25-12-11-19-5-7-20(24)8-6-19/h5-10,18,25H,3-4,11-17H2,1-2H3
InChIKeyCGVYTOVIHXZFID-UHFFFAOYSA-N
MW513.66 g/mol
LogP2.61
Rot. Bonds11

About 3-(4-butylsulfonylpiperazin-1-yl)-N-[2-(4-fluorophenyl)ethyl]-4-methoxybenzenesulfonamide

3-(4-butylsulfonylpiperazin-1-yl)-N-[2-(4-fluorophenyl)ethyl]-4-methoxybenzenesulfonamide (PubChem CID 46088808) has the molecular formula C23H32FN3O5S2 and a molecular weight of 513.66 g/mol. Its IUPAC name is 3-(4-butylsulfonylpiperazin-1-yl)-N-[2-(4-fluorophenyl)ethyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name3-(4-butylsulfonylpiperazin-1-yl)-N-[2-(4-fluorophenyl)ethyl]-4-methoxybenzenesulfonamide
PubChem CID46088808
Molecular FormulaC23H32FN3O5S2
Molecular Weight513.66 g/mol
Exact Mass513.18
IUPAC Name3-(4-butylsulfonylpiperazin-1-yl)-N-[2-(4-fluorophenyl)ethyl]-4-methoxybenzenesulfonamide
SMILESCCCCS(=O)(=O)N1CCN(c2cc(S(=O)(=O)NCCc3ccc(F)cc3)ccc2OC)CC1
InChIInChI=1S/C23H32FN3O5S2/c1-3-4-17-33(28,29)27-15-13-26(14-16-27)22-18-21(9-10-23(22)32-2)34(30,31)25-12-11-19-5-7-20(24)8-6-19/h5-10,18,25H,3-4,11-17H2,1-2H3
InChIKeyCGVYTOVIHXZFID-UHFFFAOYSA-N
XLogP2.61
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.66
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(4-butylsulfonylpiperazin-1-yl)-N-[2-(4-fluorophenyl)ethyl]-4-methoxybenzenesulfonamide 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

3-[4-(cyclohexanecarbonyl)piperazin-1-yl]-N-[2-(4-fluorophenyl)ethyl]-4-methoxybenzenesulfonamide
CID 46088616
3-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-[2-(4-fluorophenyl)ethyl]-4-methoxybenzenesulfonamide
CID 46088491
3-[4-(3-cyanobenzoyl)piperazin-1-yl]-N-[2-(4-fluorophenyl)ethyl]-4-methoxybenzenesulfonamide
CID 46088660
3-chloro-N-[2-(4-fluorophenyl)ethyl]-4-methoxybenzenesulfonamide
CID 37478572
3-fluoro-4-methoxy-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]benzenesulfonamide
CID 16890284
3-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-4-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 46088874
3-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-4-methoxy-N-(2-methoxyethyl)benzenesulfonamide
CID 46088867
1-butylsulfonyl-4-[2-(3,4-dimethoxyphenyl)ethyl]piperazine
CID 113074549
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-propylbenzenesulfonamide
CID 19680884
3,4-dimethoxy-N-[2-(4-morpholin-4-ylphenyl)ethyl]benzenesulfonamide
CID 16890585
4-fluoro-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]benzenesulfonamide
CID 16890263
4-methoxy-3-methyl-N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]benzenesulfonamide
CID 30126227

Frequently Asked Questions

What is the IUPAC name of 3-(4-butylsulfonylpiperazin-1-yl)-N-[2-(4-fluorophenyl)ethyl]-4-methoxybenzenesulfonamide?
The IUPAC name of 3-(4-butylsulfonylpiperazin-1-yl)-N-[2-(4-fluorophenyl)ethyl]-4-methoxybenzenesulfonamide (CID 46088808) is 3-(4-butylsulfonylpiperazin-1-yl)-N-[2-(4-fluorophenyl)ethyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for 3-(4-butylsulfonylpiperazin-1-yl)-N-[2-(4-fluorophenyl)ethyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for 3-(4-butylsulfonylpiperazin-1-yl)-N-[2-(4-fluorophenyl)ethyl]-4-methoxybenzenesulfonamide is CCCCS(=O)(=O)N1CCN(c2cc(S(=O)(=O)NCCc3ccc(F)cc3)ccc2OC)CC1.
What is the InChIKey of 3-(4-butylsulfonylpiperazin-1-yl)-N-[2-(4-fluorophenyl)ethyl]-4-methoxybenzenesulfonamide?
The InChIKey is CGVYTOVIHXZFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32FN3O5S2/c1-3-4-17-33(28,29)27-15-13-26(14-16-27)22-18-21(9-10-23(22)32-2)34(30,31)25-12-11-19-5-7-20(24)8-6-19/h5-10,18,25H,3-4,11-17H2,1-2H3.
What are the key properties of 3-(4-butylsulfonylpiperazin-1-yl)-N-[2-(4-fluorophenyl)ethyl]-4-methoxybenzenesulfonamide?
3-(4-butylsulfonylpiperazin-1-yl)-N-[2-(4-fluorophenyl)ethyl]-4-methoxybenzenesulfonamide has a molecular weight of 513.66 g/mol, XLogP of 2.61, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-butylsulfonylpiperazin-1-yl)-N-[2-(4-fluorophenyl)ethyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 46088808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).