1-benzylsulfonyl-4-(3-bromophenyl)sulfonylpiperazine

C17H19BrN2O4S2 — CID 26947059

IUPAC1-benzylsulfonyl-4-(3-bromophenyl)sulfonylpiperazine
SMILESO=S(=O)(Cc1ccccc1)N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1
InChIInChI=1S/C17H19BrN2O4S2/c18-16-7-4-8-17(13-16)26(23,24)20-11-9-19(10-12-20)25(21,22)14-15-5-2-1-3-6-15/h1-8,13H,9-12,14H2
InChIKeyCJQFHGAGFKZWSX-UHFFFAOYSA-N
MW459.39 g/mol
LogP2.29
Rot. Bonds5

About 1-benzylsulfonyl-4-(3-bromophenyl)sulfonylpiperazine

1-benzylsulfonyl-4-(3-bromophenyl)sulfonylpiperazine (PubChem CID 26947059) has the molecular formula C17H19BrN2O4S2 and a molecular weight of 459.39 g/mol. Its IUPAC name is 1-benzylsulfonyl-4-(3-bromophenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-benzylsulfonyl-4-(3-bromophenyl)sulfonylpiperazine
PubChem CID26947059
Molecular FormulaC17H19BrN2O4S2
Molecular Weight459.39 g/mol
Exact Mass458.00
IUPAC Name1-benzylsulfonyl-4-(3-bromophenyl)sulfonylpiperazine
SMILESO=S(=O)(Cc1ccccc1)N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1
InChIInChI=1S/C17H19BrN2O4S2/c18-16-7-4-8-17(13-16)26(23,24)20-11-9-19(10-12-20)25(21,22)14-15-5-2-1-3-6-15/h1-8,13H,9-12,14H2
InChIKeyCJQFHGAGFKZWSX-UHFFFAOYSA-N
XLogP2.29
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.39
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-benzylsulfonyl-4-(3-bromophenyl)sulfonylpiperazine 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-benzylsulfonyl-4-pyridin-3-ylsulfonylpiperazine
CID 55627851
1-(3-bromophenyl)sulfonyl-4-(2-fluorophenyl)sulfonylpiperazine
CID 46799835
1-(3-bromophenyl)sulfonyl-4-(pyridin-4-ylmethyl)piperazine
CID 29352331
[1-(3-bromophenyl)sulfonylpiperidin-4-yl]methanamine
CID 43605305
4-(3-bromophenyl)sulfonyl-N-[(2S)-4-phenylbutan-2-yl]piperazine-1-carboxamide
CID 27534090
4-(benzenesulfonyl)-N-[(3-bromophenyl)methyl]piperazine-1-carboxamide
CID 60601958
1-(3-bromophenyl)sulfonyl-4,4-diethylpiperidine
CID 63421307
1-[[4-(3-bromophenyl)sulfonylpiperazin-1-yl]methyl]pyrrolidine-2,5-dione
CID 2663775
2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-2-phenylacetonitrile
CID 112799273
1-benzylsulfonyl-4-(2-fluorophenyl)sulfonylpiperazine
CID 26527715
4-benzylsulfonylpiperazine-1-carbaldehyde
CID 3750884
4-[[4-(3-bromophenyl)sulfonylpiperazin-1-yl]methyl]benzonitrile
CID 27218772

Frequently Asked Questions

What is the IUPAC name of 1-benzylsulfonyl-4-(3-bromophenyl)sulfonylpiperazine?
The IUPAC name of 1-benzylsulfonyl-4-(3-bromophenyl)sulfonylpiperazine (CID 26947059) is 1-benzylsulfonyl-4-(3-bromophenyl)sulfonylpiperazine.
What is the SMILES notation for 1-benzylsulfonyl-4-(3-bromophenyl)sulfonylpiperazine?
The canonical SMILES for 1-benzylsulfonyl-4-(3-bromophenyl)sulfonylpiperazine is O=S(=O)(Cc1ccccc1)N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1.
What is the InChIKey of 1-benzylsulfonyl-4-(3-bromophenyl)sulfonylpiperazine?
The InChIKey is CJQFHGAGFKZWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O4S2/c18-16-7-4-8-17(13-16)26(23,24)20-11-9-19(10-12-20)25(21,22)14-15-5-2-1-3-6-15/h1-8,13H,9-12,14H2.
What are the key properties of 1-benzylsulfonyl-4-(3-bromophenyl)sulfonylpiperazine?
1-benzylsulfonyl-4-(3-bromophenyl)sulfonylpiperazine has a molecular weight of 459.39 g/mol, XLogP of 2.29, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylsulfonyl-4-(3-bromophenyl)sulfonylpiperazine is sourced from PubChem (CID 26947059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).