N-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-4-fluorobenzamide

C20H24FN3O3S — CID 7618335

IUPACN-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-4-fluorobenzamide
SMILESO=C(NCCS(=O)(=O)N1CCN(Cc2ccccc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C20H24FN3O3S/c21-19-8-6-18(7-9-19)20(25)22-10-15-28(26,27)24-13-11-23(12-14-24)16-17-4-2-1-3-5-17/h1-9H,10-16H2,(H,22,25)
InChIKeyILISEMGKPYHXGK-UHFFFAOYSA-N
MW405.50 g/mol
LogP1.70
Rot. Bonds7

About N-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-4-fluorobenzamide

N-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-4-fluorobenzamide (PubChem CID 7618335) has the molecular formula C20H24FN3O3S and a molecular weight of 405.50 g/mol. Its IUPAC name is N-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-4-fluorobenzamide
PubChem CID7618335
Molecular FormulaC20H24FN3O3S
Molecular Weight405.50 g/mol
Exact Mass405.15
IUPAC NameN-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-4-fluorobenzamide
SMILESO=C(NCCS(=O)(=O)N1CCN(Cc2ccccc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C20H24FN3O3S/c21-19-8-6-18(7-9-19)20(25)22-10-15-28(26,27)24-13-11-23(12-14-24)16-17-4-2-1-3-5-17/h1-9H,10-16H2,(H,22,25)
InChIKeyILISEMGKPYHXGK-UHFFFAOYSA-N
XLogP1.70
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-4-fluorobenzamide 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-benzylpiperazin-1-yl)sulfonylethyl]-4-fluorobenzamide?
The IUPAC name of N-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-4-fluorobenzamide (CID 7618335) is N-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-4-fluorobenzamide.
What is the SMILES notation for N-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-4-fluorobenzamide?
The canonical SMILES for N-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-4-fluorobenzamide is O=C(NCCS(=O)(=O)N1CCN(Cc2ccccc2)CC1)c1ccc(F)cc1.
What is the InChIKey of N-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-4-fluorobenzamide?
The InChIKey is ILISEMGKPYHXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O3S/c21-19-8-6-18(7-9-19)20(25)22-10-15-28(26,27)24-13-11-23(12-14-24)16-17-4-2-1-3-5-17/h1-9H,10-16H2,(H,22,25).
What are the key properties of N-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-4-fluorobenzamide?
N-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-4-fluorobenzamide has a molecular weight of 405.50 g/mol, XLogP of 1.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-4-fluorobenzamide is sourced from PubChem (CID 7618335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).