1-[(2-bromophenyl)methyl]-4-(4-chlorophenyl)sulfonylpiperazine

C17H18BrClN2O2S — CID 1122511

IUPAC1-[(2-bromophenyl)methyl]-4-(4-chlorophenyl)sulfonylpiperazine
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CCN(Cc2ccccc2Br)CC1
InChIInChI=1S/C17H18BrClN2O2S/c18-17-4-2-1-3-14(17)13-20-9-11-21(12-10-20)24(22,23)16-7-5-15(19)6-8-16/h1-8H,9-13H2
InChIKeyLVUSRTXEIYQYNT-UHFFFAOYSA-N
MW429.77 g/mol
LogP3.61
Rot. Bonds4

About 1-[(2-bromophenyl)methyl]-4-(4-chlorophenyl)sulfonylpiperazine

1-[(2-bromophenyl)methyl]-4-(4-chlorophenyl)sulfonylpiperazine (PubChem CID 1122511) has the molecular formula C17H18BrClN2O2S and a molecular weight of 429.77 g/mol. Its IUPAC name is 1-[(2-bromophenyl)methyl]-4-(4-chlorophenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-[(2-bromophenyl)methyl]-4-(4-chlorophenyl)sulfonylpiperazine
PubChem CID1122511
Molecular FormulaC17H18BrClN2O2S
Molecular Weight429.77 g/mol
Exact Mass428.00
IUPAC Name1-[(2-bromophenyl)methyl]-4-(4-chlorophenyl)sulfonylpiperazine
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CCN(Cc2ccccc2Br)CC1
InChIInChI=1S/C17H18BrClN2O2S/c18-17-4-2-1-3-14(17)13-20-9-11-21(12-10-20)24(22,23)16-7-5-15(19)6-8-16/h1-8H,9-13H2
InChIKeyLVUSRTXEIYQYNT-UHFFFAOYSA-N
XLogP3.61
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.77
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(2-bromophenyl)methyl]-4-(4-chlorophenyl)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-(4-chlorophenyl)sulfonyl-4-[(2-fluorophenyl)methyl]piperazine;oxalic acid
CID 17366247
1-(4-chlorophenyl)sulfonyl-4-[(3-chloro-4-pyridinyl)methyl]piperazine
CID 126766793
[1-(benzenesulfonyl)piperidin-4-yl]-[4-[(2-bromophenyl)methyl]piperazin-1-yl]methanone
CID 19333624
1-[(2-chlorophenyl)methyl]-4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazine
CID 157156658
1-[(2-chlorophenyl)methyl]-4-(4-fluorophenyl)sulfonylpiperazine;oxalic acid
CID 126477381
1-(4-chlorophenyl)sulfonyl-4-(2-methylsulfonylethyl)piperazine
CID 167780338
1-(4-chlorophenyl)sulfonyl-4-[(5-chlorothiophen-2-yl)methyl]piperazine
CID 9301421
1-(4-chloro-3-methylphenyl)sulfonyl-4-[(2-chlorophenyl)methyl]piperazine
CID 113074122
3-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-1,2-benzoxazole
CID 46379731
[4-[(2-bromophenyl)methyl]piperazin-1-yl]-[1-(4-nitrophenyl)sulfonylpiperidin-4-yl]methanone
CID 19333622
4-[(2-bromophenyl)methyl]-N-(4-chlorophenyl)piperazine-1-carboxamide
CID 19293584
1-(4-chlorophenyl)sulfonyl-4-[(2,5-dimethoxyphenyl)methyl]piperazine
CID 1122407

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromophenyl)methyl]-4-(4-chlorophenyl)sulfonylpiperazine?
The IUPAC name of 1-[(2-bromophenyl)methyl]-4-(4-chlorophenyl)sulfonylpiperazine (CID 1122511) is 1-[(2-bromophenyl)methyl]-4-(4-chlorophenyl)sulfonylpiperazine.
What is the SMILES notation for 1-[(2-bromophenyl)methyl]-4-(4-chlorophenyl)sulfonylpiperazine?
The canonical SMILES for 1-[(2-bromophenyl)methyl]-4-(4-chlorophenyl)sulfonylpiperazine is O=S(=O)(c1ccc(Cl)cc1)N1CCN(Cc2ccccc2Br)CC1.
What is the InChIKey of 1-[(2-bromophenyl)methyl]-4-(4-chlorophenyl)sulfonylpiperazine?
The InChIKey is LVUSRTXEIYQYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrClN2O2S/c18-17-4-2-1-3-14(17)13-20-9-11-21(12-10-20)24(22,23)16-7-5-15(19)6-8-16/h1-8H,9-13H2.
What are the key properties of 1-[(2-bromophenyl)methyl]-4-(4-chlorophenyl)sulfonylpiperazine?
1-[(2-bromophenyl)methyl]-4-(4-chlorophenyl)sulfonylpiperazine has a molecular weight of 429.77 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromophenyl)methyl]-4-(4-chlorophenyl)sulfonylpiperazine is sourced from PubChem (CID 1122511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).