N-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-2,6-difluorobenzamide

C20H23F2N3O3S — CID 42590040

IUPACN-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-2,6-difluorobenzamide
SMILESO=C(NCCS(=O)(=O)N1CCN(Cc2ccccc2)CC1)c1c(F)cccc1F
InChIInChI=1S/C20H23F2N3O3S/c21-17-7-4-8-18(22)19(17)20(26)23-9-14-29(27,28)25-12-10-24(11-13-25)15-16-5-2-1-3-6-16/h1-8H,9-15H2,(H,23,26)
InChIKeyHBSVSGNFMUCOJY-UHFFFAOYSA-N
MW423.49 g/mol
LogP1.84
Rot. Bonds7

About N-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-2,6-difluorobenzamide

N-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-2,6-difluorobenzamide (PubChem CID 42590040) has the molecular formula C20H23F2N3O3S and a molecular weight of 423.49 g/mol. Its IUPAC name is N-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-2,6-difluorobenzamide
PubChem CID42590040
Molecular FormulaC20H23F2N3O3S
Molecular Weight423.49 g/mol
Exact Mass423.14
IUPAC NameN-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-2,6-difluorobenzamide
SMILESO=C(NCCS(=O)(=O)N1CCN(Cc2ccccc2)CC1)c1c(F)cccc1F
InChIInChI=1S/C20H23F2N3O3S/c21-17-7-4-8-18(22)19(17)20(26)23-9-14-29(27,28)25-12-10-24(11-13-25)15-16-5-2-1-3-6-16/h1-8H,9-15H2,(H,23,26)
InChIKeyHBSVSGNFMUCOJY-UHFFFAOYSA-N
XLogP1.84
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-2,6-difluorobenzamide 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

N-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-3-bromobenzamide
CID 16881055
N-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-2,4-dimethoxybenzamide
CID 16881045
N-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-3,4-diethoxybenzamide
CID 16881049
N-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]-2,6-difluorobenzamide
CID 16809508
3,4-difluoro-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]benzamide
CID 16881239
N-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-2-(2,4-dichlorophenoxy)acetamide
CID 16881077
N-[2-(4-ethylpiperazin-1-yl)sulfonylethyl]-3-fluorobenzamide
CID 42590095
2-fluoro-N-(2-thiomorpholin-4-ylsulfonylethyl)benzamide
CID 56782902
N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-chloro-4,5-difluorobenzamide
CID 39985361
1-benzyl-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrazole-4-carboxamide
CID 74230410
N-[2-(4-methylpiperazin-1-yl)sulfonylethyl]-2-phenylacetamide
CID 110345252
1-benzyl-4-(3-phenylpropylsulfonyl)piperazine
CID 113073931

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-2,6-difluorobenzamide?
The IUPAC name of N-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-2,6-difluorobenzamide (CID 42590040) is N-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-2,6-difluorobenzamide?
The canonical SMILES for N-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-2,6-difluorobenzamide is O=C(NCCS(=O)(=O)N1CCN(Cc2ccccc2)CC1)c1c(F)cccc1F.
What is the InChIKey of N-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-2,6-difluorobenzamide?
The InChIKey is HBSVSGNFMUCOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2N3O3S/c21-17-7-4-8-18(22)19(17)20(26)23-9-14-29(27,28)25-12-10-24(11-13-25)15-16-5-2-1-3-6-16/h1-8H,9-15H2,(H,23,26).
What are the key properties of N-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-2,6-difluorobenzamide?
N-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-2,6-difluorobenzamide has a molecular weight of 423.49 g/mol, XLogP of 1.84, 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]-2,6-difluorobenzamide is sourced from PubChem (CID 42590040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).