N-[2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-phenoxybenzenesulfonamide

C25H28FN3O3S — CID 45274274

IUPACN-[2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-phenoxybenzenesulfonamide
SMILESCN1CCN(C(CNS(=O)(=O)c2ccc(Oc3ccccc3)cc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C25H28FN3O3S/c1-28-15-17-29(18-16-28)25(20-7-9-21(26)10-8-20)19-27-33(30,31)24-13-11-23(12-14-24)32-22-5-3-2-4-6-22/h2-14,25,27H,15-19H2,1H3
InChIKeyKXEAZSQMUUDKHH-UHFFFAOYSA-N
MW469.58 g/mol
LogP3.88
Rot. Bonds8

About N-[2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-phenoxybenzenesulfonamide

N-[2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-phenoxybenzenesulfonamide (PubChem CID 45274274) has the molecular formula C25H28FN3O3S and a molecular weight of 469.58 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-phenoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-phenoxybenzenesulfonamide
PubChem CID45274274
Molecular FormulaC25H28FN3O3S
Molecular Weight469.58 g/mol
Exact Mass469.18
IUPAC NameN-[2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-phenoxybenzenesulfonamide
SMILESCN1CCN(C(CNS(=O)(=O)c2ccc(Oc3ccccc3)cc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C25H28FN3O3S/c1-28-15-17-29(18-16-28)25(20-7-9-21(26)10-8-20)19-27-33(30,31)24-13-11-23(12-14-24)32-22-5-3-2-4-6-22/h2-14,25,27H,15-19H2,1H3
InChIKeyKXEAZSQMUUDKHH-UHFFFAOYSA-N
XLogP3.88
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.58
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-phenoxybenzenesulfonamide 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 N-[2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-phenoxybenzenesulfonamide?
The IUPAC name of N-[2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-phenoxybenzenesulfonamide (CID 45274274) is N-[2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-phenoxybenzenesulfonamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-phenoxybenzenesulfonamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-phenoxybenzenesulfonamide is CN1CCN(C(CNS(=O)(=O)c2ccc(Oc3ccccc3)cc2)c2ccc(F)cc2)CC1.
What is the InChIKey of N-[2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-phenoxybenzenesulfonamide?
The InChIKey is KXEAZSQMUUDKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN3O3S/c1-28-15-17-29(18-16-28)25(20-7-9-21(26)10-8-20)19-27-33(30,31)24-13-11-23(12-14-24)32-22-5-3-2-4-6-22/h2-14,25,27H,15-19H2,1H3.
What are the key properties of N-[2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-phenoxybenzenesulfonamide?
N-[2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-phenoxybenzenesulfonamide has a molecular weight of 469.58 g/mol, XLogP of 3.88, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-phenoxybenzenesulfonamide is sourced from PubChem (CID 45274274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).