N-[(2,5-difluorophenyl)methyl]-2-piperazin-1-ylethanesulfonamide

C13H19F2N3O2S — CID 63790846

IUPACN-[(2,5-difluorophenyl)methyl]-2-piperazin-1-ylethanesulfonamide
SMILESO=S(=O)(CCN1CCNCC1)NCc1cc(F)ccc1F
InChIInChI=1S/C13H19F2N3O2S/c14-12-1-2-13(15)11(9-12)10-17-21(19,20)8-7-18-5-3-16-4-6-18/h1-2,9,16-17H,3-8,10H2
InChIKeyORAFGLRYACSHOF-UHFFFAOYSA-N
MW319.38 g/mol
LogP0.29
Rot. Bonds6

About N-[(2,5-difluorophenyl)methyl]-2-piperazin-1-ylethanesulfonamide

N-[(2,5-difluorophenyl)methyl]-2-piperazin-1-ylethanesulfonamide (PubChem CID 63790846) has the molecular formula C13H19F2N3O2S and a molecular weight of 319.38 g/mol. Its IUPAC name is N-[(2,5-difluorophenyl)methyl]-2-piperazin-1-ylethanesulfonamide.

Molecular Properties

Compound NameN-[(2,5-difluorophenyl)methyl]-2-piperazin-1-ylethanesulfonamide
PubChem CID63790846
Molecular FormulaC13H19F2N3O2S
Molecular Weight319.38 g/mol
Exact Mass319.12
IUPAC NameN-[(2,5-difluorophenyl)methyl]-2-piperazin-1-ylethanesulfonamide
SMILESO=S(=O)(CCN1CCNCC1)NCc1cc(F)ccc1F
InChIInChI=1S/C13H19F2N3O2S/c14-12-1-2-13(15)11(9-12)10-17-21(19,20)8-7-18-5-3-16-4-6-18/h1-2,9,16-17H,3-8,10H2
InChIKeyORAFGLRYACSHOF-UHFFFAOYSA-N
XLogP0.29
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2,5-difluorophenyl)methyl]-2-piperazin-1-ylethanesulfonamide 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-[(2,5-difluorophenyl)methyl]butane-1-sulfonamide
CID 110780977
N-[(2,5-difluorophenyl)methyl]-2-(propylamino)ethanesulfonamide
CID 106065163
N-(1,2-oxazol-3-ylmethyl)-2-piperazin-1-ylethanesulfonamide
CID 81176676
1-(4-chlorophenyl)-N-[(2,5-difluorophenyl)methyl]methanesulfonamide
CID 110780997
1-[2-(2-ethyl-5-fluorophenyl)ethyl]piperazine
CID 84798240
1-(4-aminophenyl)-N-[(2,5-difluorophenyl)methyl]methanesulfonamide
CID 63796032
2-chloro-5-fluoro-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 115752213
N-[2-(2-methylphenyl)ethyl]-2-piperazin-1-ylethanesulfonamide
CID 79756190
1-[2-(2-chloro-5-fluorophenyl)ethyl]piperazine
CID 82622203
2-(2-fluorophenoxy)-N-(2-piperazin-1-ylethyl)ethanesulfonamide;hydrochloride
CID 154911727
1-(2-chlorophenyl)-N-[(2,5-difluorophenyl)methyl]methanesulfonamide
CID 110780996
1-[3-(2,5-difluorophenyl)-2,2-dimethylpropyl]piperazine
CID 82305165

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-difluorophenyl)methyl]-2-piperazin-1-ylethanesulfonamide?
The IUPAC name of N-[(2,5-difluorophenyl)methyl]-2-piperazin-1-ylethanesulfonamide (CID 63790846) is N-[(2,5-difluorophenyl)methyl]-2-piperazin-1-ylethanesulfonamide.
What is the SMILES notation for N-[(2,5-difluorophenyl)methyl]-2-piperazin-1-ylethanesulfonamide?
The canonical SMILES for N-[(2,5-difluorophenyl)methyl]-2-piperazin-1-ylethanesulfonamide is O=S(=O)(CCN1CCNCC1)NCc1cc(F)ccc1F.
What is the InChIKey of N-[(2,5-difluorophenyl)methyl]-2-piperazin-1-ylethanesulfonamide?
The InChIKey is ORAFGLRYACSHOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N3O2S/c14-12-1-2-13(15)11(9-12)10-17-21(19,20)8-7-18-5-3-16-4-6-18/h1-2,9,16-17H,3-8,10H2.
What are the key properties of N-[(2,5-difluorophenyl)methyl]-2-piperazin-1-ylethanesulfonamide?
N-[(2,5-difluorophenyl)methyl]-2-piperazin-1-ylethanesulfonamide has a molecular weight of 319.38 g/mol, XLogP of 0.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-difluorophenyl)methyl]-2-piperazin-1-ylethanesulfonamide is sourced from PubChem (CID 63790846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).