(5-bromo-2-chlorophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone

C12H14BrClN2O3S — CID 17249306

IUPAC(5-bromo-2-chlorophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone
SMILESCS(=O)(=O)N1CCN(C(=O)c2cc(Br)ccc2Cl)CC1
InChIInChI=1S/C12H14BrClN2O3S/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
InChIKeyPTHVKFSZANEAHT-UHFFFAOYSA-N
MW381.68 g/mol
LogP1.82
Rot. Bonds2

About (5-bromo-2-chlorophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone

(5-bromo-2-chlorophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone (PubChem CID 17249306) has the molecular formula C12H14BrClN2O3S and a molecular weight of 381.68 g/mol. Its IUPAC name is (5-bromo-2-chlorophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(5-bromo-2-chlorophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone
PubChem CID17249306
Molecular FormulaC12H14BrClN2O3S
Molecular Weight381.68 g/mol
Exact Mass379.96
IUPAC Name(5-bromo-2-chlorophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone
SMILESCS(=O)(=O)N1CCN(C(=O)c2cc(Br)ccc2Cl)CC1
InChIInChI=1S/C12H14BrClN2O3S/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
InChIKeyPTHVKFSZANEAHT-UHFFFAOYSA-N
XLogP1.82
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.68
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (5-bromo-2-chlorophenyl)-(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

azocan-1-yl-(5-bromo-2-chlorophenyl)methanone
CID 17167181
(3,5-dibromophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 103907500
(5-chloro-2-fluorophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 47136662
(5-bromo-2-chlorophenyl)-(4-cyclopropylpiperazin-1-yl)methanone
CID 54912287
(3-amino-5-bromo-2-methylphenyl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 107872456
1-[4-(5-bromo-2-chlorobenzoyl)piperazin-1-yl]-2-methoxyethanone
CID 60776285
(2-bromophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 1244172
(5-bromo-2-chlorophenyl)-(4-bromopiperidin-1-yl)methanone
CID 80662663
(5-chloro-2-hydroxyphenyl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 47122991
5-bromo-2-(4-methylsulfonylpiperazin-1-yl)benzoic acid
CID 114895756
(5-bromo-2-chlorophenyl)-(4,4-dimethylazepan-1-yl)methanone
CID 65282955
2-[4-(5-bromo-2-chlorobenzoyl)piperazin-1-yl]acetonitrile
CID 62647685

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-chlorophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone?
The IUPAC name of (5-bromo-2-chlorophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone (CID 17249306) is (5-bromo-2-chlorophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone.
What is the SMILES notation for (5-bromo-2-chlorophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone?
The canonical SMILES for (5-bromo-2-chlorophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone is CS(=O)(=O)N1CCN(C(=O)c2cc(Br)ccc2Cl)CC1.
What is the InChIKey of (5-bromo-2-chlorophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone?
The InChIKey is PTHVKFSZANEAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrClN2O3S/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-bromo-2-chlorophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone?
(5-bromo-2-chlorophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone has a molecular weight of 381.68 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-chlorophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone is sourced from PubChem (CID 17249306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).