(5-chloro-2-fluorophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone

C12H14ClFN2O3S — CID 47136662

IUPAC(5-chloro-2-fluorophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone
SMILESCS(=O)(=O)N1CCN(C(=O)c2cc(Cl)ccc2F)CC1
InChIInChI=1S/C12H14ClFN2O3S/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
InChIKeyMUAOMVIUYRTGHN-UHFFFAOYSA-N
MW320.77 g/mol
LogP1.20
Rot. Bonds2

About (5-chloro-2-fluorophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone

(5-chloro-2-fluorophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone (PubChem CID 47136662) has the molecular formula C12H14ClFN2O3S and a molecular weight of 320.77 g/mol. Its IUPAC name is (5-chloro-2-fluorophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(5-chloro-2-fluorophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone
PubChem CID47136662
Molecular FormulaC12H14ClFN2O3S
Molecular Weight320.77 g/mol
Exact Mass320.04
IUPAC Name(5-chloro-2-fluorophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone
SMILESCS(=O)(=O)N1CCN(C(=O)c2cc(Cl)ccc2F)CC1
InChIInChI=1S/C12H14ClFN2O3S/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
InChIKeyMUAOMVIUYRTGHN-UHFFFAOYSA-N
XLogP1.20
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.77
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (5-chloro-2-fluorophenyl)-(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

(2,5-difluorophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 110804484
(5-chloro-2-hydroxyphenyl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 47122991
(5-chloro-2-fluorophenyl)-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]methanone
CID 27757766
(5-chloro-2-fluorophenyl)-(4-propylsulfonyl-1,4-diazepan-1-yl)methanone
CID 110810249
azepan-1-yl-(5-chloro-2-fluorophenyl)methanone
CID 60675642
(5-chloro-2-fluorophenyl)-(4-ethylpiperazin-1-yl)methanone
CID 60675583
(5-chloro-2-fluorophenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 9086144
4-(5-chloro-2-methylbenzoyl)piperazine-1-sulfonamide
CID 115532362
(5-bromo-2-chlorophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 17249306
(5-chloro-2-fluorophenyl)-piperazin-1-ylmethanone
CID 16769233
[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-(2-propan-2-ylsulfonylphenyl)methanone
CID 55778718
4-chloro-3-[4-(5-chloro-2-fluorobenzoyl)piperazine-1-carbonyl]-N,N-dimethylbenzenesulfonamide
CID 46478927

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-fluorophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone?
The IUPAC name of (5-chloro-2-fluorophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone (CID 47136662) is (5-chloro-2-fluorophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone.
What is the SMILES notation for (5-chloro-2-fluorophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone?
The canonical SMILES for (5-chloro-2-fluorophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone is CS(=O)(=O)N1CCN(C(=O)c2cc(Cl)ccc2F)CC1.
What is the InChIKey of (5-chloro-2-fluorophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone?
The InChIKey is MUAOMVIUYRTGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClFN2O3S/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 (5-chloro-2-fluorophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone?
(5-chloro-2-fluorophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone has a molecular weight of 320.77 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-fluorophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone is sourced from PubChem (CID 47136662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).