1-(2,5-difluorophenyl)sulfonyl-4-(pyridin-4-ylmethyl)piperazine

C16H17F2N3O2S — CID 17461113

IUPAC1-(2,5-difluorophenyl)sulfonyl-4-(pyridin-4-ylmethyl)piperazine
SMILESO=S(=O)(c1cc(F)ccc1F)N1CCN(Cc2ccncc2)CC1
InChIInChI=1S/C16H17F2N3O2S/c17-14-1-2-15(18)16(11-14)24(22,23)21-9-7-20(8-10-21)12-13-3-5-19-6-4-13/h1-6,11H,7-10,12H2
InChIKeyAFNNPLJJXCZXMO-UHFFFAOYSA-N
MW353.39 g/mol
LogP1.87
Rot. Bonds4

About 1-(2,5-difluorophenyl)sulfonyl-4-(pyridin-4-ylmethyl)piperazine

1-(2,5-difluorophenyl)sulfonyl-4-(pyridin-4-ylmethyl)piperazine (PubChem CID 17461113) has the molecular formula C16H17F2N3O2S and a molecular weight of 353.39 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)sulfonyl-4-(pyridin-4-ylmethyl)piperazine.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)sulfonyl-4-(pyridin-4-ylmethyl)piperazine
PubChem CID17461113
Molecular FormulaC16H17F2N3O2S
Molecular Weight353.39 g/mol
Exact Mass353.10
IUPAC Name1-(2,5-difluorophenyl)sulfonyl-4-(pyridin-4-ylmethyl)piperazine
SMILESO=S(=O)(c1cc(F)ccc1F)N1CCN(Cc2ccncc2)CC1
InChIInChI=1S/C16H17F2N3O2S/c17-14-1-2-15(18)16(11-14)24(22,23)21-9-7-20(8-10-21)12-13-3-5-19-6-4-13/h1-6,11H,7-10,12H2
InChIKeyAFNNPLJJXCZXMO-UHFFFAOYSA-N
XLogP1.87
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(2,5-difluorophenyl)sulfonyl-4-(pyridin-4-ylmethyl)piperazine 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

1-(4-fluoro-2-methylphenyl)sulfonyl-4-(pyridin-4-ylmethyl)piperazine
CID 110709179
1-benzyl-4-(2,4-difluorophenyl)sulfonylpiperazine
CID 19682650
2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]ethanol
CID 43392116
1-(4-fluoro-2-pyridin-4-ylphenyl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperazine
CID 118676065
1-(2,5-difluorophenyl)sulfonyl-4-[(2,5-dimethylphenyl)methyl]piperazine
CID 8796966
1-(2,5-difluorophenyl)sulfonyl-4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazine
CID 29339724
1-(2,5-difluorophenyl)sulfonyl-4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazine;hydrochloride
CID 163331887
3-[[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-1,2-benzoxazole
CID 46379757
2-[[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]methyl]benzonitrile
CID 8797199
1-(2-bromo-4-fluorophenyl)sulfonyl-4-[(4-chlorophenyl)methyl]-1,4-diazepane
CID 52697129
(2R)-1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]butan-2-ol
CID 111487243
1-benzyl-4-(5-fluoro-2-methoxyphenyl)sulfonylpiperazine
CID 6499746

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)sulfonyl-4-(pyridin-4-ylmethyl)piperazine?
The IUPAC name of 1-(2,5-difluorophenyl)sulfonyl-4-(pyridin-4-ylmethyl)piperazine (CID 17461113) is 1-(2,5-difluorophenyl)sulfonyl-4-(pyridin-4-ylmethyl)piperazine.
What is the SMILES notation for 1-(2,5-difluorophenyl)sulfonyl-4-(pyridin-4-ylmethyl)piperazine?
The canonical SMILES for 1-(2,5-difluorophenyl)sulfonyl-4-(pyridin-4-ylmethyl)piperazine is O=S(=O)(c1cc(F)ccc1F)N1CCN(Cc2ccncc2)CC1.
What is the InChIKey of 1-(2,5-difluorophenyl)sulfonyl-4-(pyridin-4-ylmethyl)piperazine?
The InChIKey is AFNNPLJJXCZXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3O2S/c17-14-1-2-15(18)16(11-14)24(22,23)21-9-7-20(8-10-21)12-13-3-5-19-6-4-13/h1-6,11H,7-10,12H2.
What are the key properties of 1-(2,5-difluorophenyl)sulfonyl-4-(pyridin-4-ylmethyl)piperazine?
1-(2,5-difluorophenyl)sulfonyl-4-(pyridin-4-ylmethyl)piperazine has a molecular weight of 353.39 g/mol, XLogP of 1.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)sulfonyl-4-(pyridin-4-ylmethyl)piperazine is sourced from PubChem (CID 17461113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).