4-(3-bromo-4-methoxyphenyl)sulfonyl-3-methylpiperazin-2-one

C12H15BrN2O4S — CID 63362640

IUPAC4-(3-bromo-4-methoxyphenyl)sulfonyl-3-methylpiperazin-2-one
SMILESCOc1ccc(S(=O)(=O)N2CCNC(=O)C2C)cc1Br
InChIInChI=1S/C12H15BrN2O4S/c1-8-12(16)14-5-6-15(8)20(17,18)9-3-4-11(19-2)10(13)7-9/h3-4,7-8H,5-6H2,1-2H3,(H,14,16)
InChIKeyWZKSGKAJELHJQD-UHFFFAOYSA-N
MW363.23 g/mol
LogP0.97
Rot. Bonds3

About 4-(3-bromo-4-methoxyphenyl)sulfonyl-3-methylpiperazin-2-one

4-(3-bromo-4-methoxyphenyl)sulfonyl-3-methylpiperazin-2-one (PubChem CID 63362640) has the molecular formula C12H15BrN2O4S and a molecular weight of 363.23 g/mol. Its IUPAC name is 4-(3-bromo-4-methoxyphenyl)sulfonyl-3-methylpiperazin-2-one.

Molecular Properties

Compound Name4-(3-bromo-4-methoxyphenyl)sulfonyl-3-methylpiperazin-2-one
PubChem CID63362640
Molecular FormulaC12H15BrN2O4S
Molecular Weight363.23 g/mol
Exact Mass361.99
IUPAC Name4-(3-bromo-4-methoxyphenyl)sulfonyl-3-methylpiperazin-2-one
SMILESCOc1ccc(S(=O)(=O)N2CCNC(=O)C2C)cc1Br
InChIInChI=1S/C12H15BrN2O4S/c1-8-12(16)14-5-6-15(8)20(17,18)9-3-4-11(19-2)10(13)7-9/h3-4,7-8H,5-6H2,1-2H3,(H,14,16)
InChIKeyWZKSGKAJELHJQD-UHFFFAOYSA-N
XLogP0.97
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.23
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(3-bromo-4-methoxyphenyl)sulfonyl-3-methylpiperazin-2-one 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

4-(3-bromo-4-methoxyphenyl)sulfonyl-3-ethylpiperazin-2-one
CID 63600524
2-bromo-5-(2-methyl-3-oxopiperazin-1-yl)sulfonylbenzoic acid
CID 63606843
4-(5-chloro-2-methoxyphenyl)sulfonyl-3-methylpiperazin-2-one
CID 110708003
3-(2-methyl-3-oxopiperazin-1-yl)sulfonylbenzenesulfonamide
CID 63361950
4-(4-chloro-2-methoxyphenyl)sulfonyl-3-methylpiperazin-2-one
CID 63605732
1-(3-bromo-4-methoxyphenyl)sulfonyl-2,4-dimethylpiperidine
CID 62330241
4-(3-bromo-4-chlorophenyl)sulfonyl-3-ethylpiperazin-2-one
CID 106546001
3-(2-methyl-3-oxopiperazin-1-yl)sulfonylbenzoic acid
CID 63607350
4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-3-methylpiperazin-2-one
CID 63362855
4-(4-methoxy-3-methylphenyl)sulfonyl-3-(4-methylphenyl)piperazin-2-one
CID 110420093
4-(2-methyl-3-oxopiperazin-1-yl)sulfonylbenzamide
CID 63606240
4-(3-bromo-4-methoxyphenyl)sulfonyl-2-ethylthiomorpholine
CID 115650859

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-4-methoxyphenyl)sulfonyl-3-methylpiperazin-2-one?
The IUPAC name of 4-(3-bromo-4-methoxyphenyl)sulfonyl-3-methylpiperazin-2-one (CID 63362640) is 4-(3-bromo-4-methoxyphenyl)sulfonyl-3-methylpiperazin-2-one.
What is the SMILES notation for 4-(3-bromo-4-methoxyphenyl)sulfonyl-3-methylpiperazin-2-one?
The canonical SMILES for 4-(3-bromo-4-methoxyphenyl)sulfonyl-3-methylpiperazin-2-one is COc1ccc(S(=O)(=O)N2CCNC(=O)C2C)cc1Br.
What is the InChIKey of 4-(3-bromo-4-methoxyphenyl)sulfonyl-3-methylpiperazin-2-one?
The InChIKey is WZKSGKAJELHJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O4S/c1-8-12(16)14-5-6-15(8)20(17,18)9-3-4-11(19-2)10(13)7-9/h3-4,7-8H,5-6H2,1-2H3,(H,14,16).
What are the key properties of 4-(3-bromo-4-methoxyphenyl)sulfonyl-3-methylpiperazin-2-one?
4-(3-bromo-4-methoxyphenyl)sulfonyl-3-methylpiperazin-2-one has a molecular weight of 363.23 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-4-methoxyphenyl)sulfonyl-3-methylpiperazin-2-one is sourced from PubChem (CID 63362640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).