1-(2,4-dibromo-5-methylphenyl)sulfonyl-4-phenylpiperazine

C17H18Br2N2O2S — CID 50876773

IUPAC1-(2,4-dibromo-5-methylphenyl)sulfonyl-4-phenylpiperazine
SMILESCc1cc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1Br
InChIInChI=1S/C17H18Br2N2O2S/c1-13-11-17(16(19)12-15(13)18)24(22,23)21-9-7-20(8-10-21)14-5-3-2-4-6-14/h2-6,11-12H,7-10H2,1H3
InChIKeyTUSVCJROLPJTIM-UHFFFAOYSA-N
MW474.22 g/mol
LogP4.03
Rot. Bonds3

About 1-(2,4-dibromo-5-methylphenyl)sulfonyl-4-phenylpiperazine

1-(2,4-dibromo-5-methylphenyl)sulfonyl-4-phenylpiperazine (PubChem CID 50876773) has the molecular formula C17H18Br2N2O2S and a molecular weight of 474.22 g/mol. Its IUPAC name is 1-(2,4-dibromo-5-methylphenyl)sulfonyl-4-phenylpiperazine.

Molecular Properties

Compound Name1-(2,4-dibromo-5-methylphenyl)sulfonyl-4-phenylpiperazine
PubChem CID50876773
Molecular FormulaC17H18Br2N2O2S
Molecular Weight474.22 g/mol
Exact Mass471.95
IUPAC Name1-(2,4-dibromo-5-methylphenyl)sulfonyl-4-phenylpiperazine
SMILESCc1cc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1Br
InChIInChI=1S/C17H18Br2N2O2S/c1-13-11-17(16(19)12-15(13)18)24(22,23)21-9-7-20(8-10-21)14-5-3-2-4-6-14/h2-6,11-12H,7-10H2,1H3
InChIKeyTUSVCJROLPJTIM-UHFFFAOYSA-N
XLogP4.03
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.22
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(2,4-dibromo-5-methylphenyl)sulfonyl-4-phenylpiperazine 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-bromo-2,5-dimethylphenyl)sulfonyl-4-(4-fluorophenyl)piperazine
CID 1184061
1,4-bis[(4-bromo-2,5-dimethylphenyl)sulfonyl]-1,4-diazepane
CID 21210286
1-(2-bromo-4,5-dimethylphenyl)sulfonyl-4-(2,4,6-trimethylphenyl)piperazine
CID 91669810
1-(3-chloro-2-methylphenyl)sulfonyl-4-phenylpiperazine
CID 11951648
1-(4-bromo-2,5-dimethylphenyl)sulfonyl-4-(2,4-dimethylphenyl)piperazine
CID 2137807
1-(2-methoxy-5-methylphenyl)sulfonyl-4-phenylpiperazine
CID 775526
2-[4-methyl-3-(4-phenylpiperazin-1-yl)sulfonylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one
CID 20897639
2-methyl-5-(4-phenylpiperazin-1-yl)sulfonylbenzoic acid
CID 45466358
1-(3-methoxyphenyl)-4-(2-methylphenyl)sulfonylpiperazine
CID 113077373
4-chloro-1-(2,5-dibromo-4-methylphenyl)sulfonylpiperidine
CID 81326731
1-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]-4-phenylpiperazine
CID 11952187
1-(5-fluoro-2-methoxyphenyl)sulfonyl-4-phenylpiperazine
CID 1085531

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dibromo-5-methylphenyl)sulfonyl-4-phenylpiperazine?
The IUPAC name of 1-(2,4-dibromo-5-methylphenyl)sulfonyl-4-phenylpiperazine (CID 50876773) is 1-(2,4-dibromo-5-methylphenyl)sulfonyl-4-phenylpiperazine.
What is the SMILES notation for 1-(2,4-dibromo-5-methylphenyl)sulfonyl-4-phenylpiperazine?
The canonical SMILES for 1-(2,4-dibromo-5-methylphenyl)sulfonyl-4-phenylpiperazine is Cc1cc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1Br.
What is the InChIKey of 1-(2,4-dibromo-5-methylphenyl)sulfonyl-4-phenylpiperazine?
The InChIKey is TUSVCJROLPJTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Br2N2O2S/c1-13-11-17(16(19)12-15(13)18)24(22,23)21-9-7-20(8-10-21)14-5-3-2-4-6-14/h2-6,11-12H,7-10H2,1H3.
What are the key properties of 1-(2,4-dibromo-5-methylphenyl)sulfonyl-4-phenylpiperazine?
1-(2,4-dibromo-5-methylphenyl)sulfonyl-4-phenylpiperazine has a molecular weight of 474.22 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dibromo-5-methylphenyl)sulfonyl-4-phenylpiperazine is sourced from PubChem (CID 50876773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).