(2,5-difluorophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone

C12H14F2N2O3S — CID 110804484

IUPAC(2,5-difluorophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone
SMILESCS(=O)(=O)N1CCN(C(=O)c2cc(F)ccc2F)CC1
InChIInChI=1S/C12H14F2N2O3S/c1-20(18,19)16-6-4-15(5-7-16)12(17)10-8-9(13)2-3-11(10)14/h2-3,8H,4-7H2,1H3
InChIKeyQKLYZRWGXXZYDE-UHFFFAOYSA-N
MW304.32 g/mol
LogP0.68
Rot. Bonds2

About (2,5-difluorophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone

(2,5-difluorophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone (PubChem CID 110804484) has the molecular formula C12H14F2N2O3S and a molecular weight of 304.32 g/mol. Its IUPAC name is (2,5-difluorophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2,5-difluorophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone
PubChem CID110804484
Molecular FormulaC12H14F2N2O3S
Molecular Weight304.32 g/mol
Exact Mass304.07
IUPAC Name(2,5-difluorophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone
SMILESCS(=O)(=O)N1CCN(C(=O)c2cc(F)ccc2F)CC1
InChIInChI=1S/C12H14F2N2O3S/c1-20(18,19)16-6-4-15(5-7-16)12(17)10-8-9(13)2-3-11(10)14/h2-3,8H,4-7H2,1H3
InChIKeyQKLYZRWGXXZYDE-UHFFFAOYSA-N
XLogP0.68
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2,5-difluorophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone 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

(5-chloro-2-fluorophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 47136662
(2,5-difluorophenyl)-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 30485284
[4-(2,5-difluorobenzoyl)piperazin-1-yl]-(2,4-difluorophenyl)methanone
CID 48868982
[4-(2,5-difluorobenzoyl)piperazin-1-yl]-(2-fluorophenyl)methanone
CID 33466238
[4-(2,5-difluorobenzoyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 48868968
4-[4-(2,5-difluorobenzoyl)piperazin-1-yl]sulfonylbenzonitrile
CID 27330153
(5-chloro-2-hydroxyphenyl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 47122991
[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-(2,5-difluorophenyl)methanone
CID 43022485
4-(2,5-difluorobenzoyl)-N-propan-2-yl-1,4-diazepane-1-carboxamide
CID 110813489
(4-amino-3,5-difluorophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 63186086
(2,5-dimethylphenyl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 47122985
[4-(azetidin-3-yl)piperazin-1-yl]-(2,5-difluorophenyl)methanone
CID 66204072

Frequently Asked Questions

What is the IUPAC name of (2,5-difluorophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone?
The IUPAC name of (2,5-difluorophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone (CID 110804484) is (2,5-difluorophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone.
What is the SMILES notation for (2,5-difluorophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone?
The canonical SMILES for (2,5-difluorophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone is CS(=O)(=O)N1CCN(C(=O)c2cc(F)ccc2F)CC1.
What is the InChIKey of (2,5-difluorophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone?
The InChIKey is QKLYZRWGXXZYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O3S/c1-20(18,19)16-6-4-15(5-7-16)12(17)10-8-9(13)2-3-11(10)14/h2-3,8H,4-7H2,1H3.
What are the key properties of (2,5-difluorophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone?
(2,5-difluorophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone has a molecular weight of 304.32 g/mol, XLogP of 0.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-difluorophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone is sourced from PubChem (CID 110804484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).