1-(4-bromophenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine

C18H21BrN2O2S — CID 1344730

IUPAC1-(4-bromophenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine
SMILESCc1cccc(N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)c1C
InChIInChI=1S/C18H21BrN2O2S/c1-14-4-3-5-18(15(14)2)20-10-12-21(13-11-20)24(22,23)17-8-6-16(19)7-9-17/h3-9H,10-13H2,1-2H3
InChIKeyIHAGDIPGQIAWBG-UHFFFAOYSA-N
MW409.35 g/mol
LogP3.58
Rot. Bonds3

About 1-(4-bromophenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine

1-(4-bromophenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine (PubChem CID 1344730) has the molecular formula C18H21BrN2O2S and a molecular weight of 409.35 g/mol. Its IUPAC name is 1-(4-bromophenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine.

Molecular Properties

Compound Name1-(4-bromophenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine
PubChem CID1344730
Molecular FormulaC18H21BrN2O2S
Molecular Weight409.35 g/mol
Exact Mass408.05
IUPAC Name1-(4-bromophenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine
SMILESCc1cccc(N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)c1C
InChIInChI=1S/C18H21BrN2O2S/c1-14-4-3-5-18(15(14)2)20-10-12-21(13-11-20)24(22,23)17-8-6-16(19)7-9-17/h3-9H,10-13H2,1-2H3
InChIKeyIHAGDIPGQIAWBG-UHFFFAOYSA-N
XLogP3.58
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.35
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dimethylphenyl)-4-(4-iodophenyl)sulfonylpiperazine
CID 3590123
1-(2,3-dimethylphenyl)-4-(4-fluorophenyl)sulfonylpiperazine
CID 694818
4-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonylbenzonitrile
CID 3436716
5-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-1H-pyridin-2-one
CID 110865706
1-(4-butan-2-ylphenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine
CID 19682911
N-[(2R)-butan-2-yl]-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonylbenzenesulfonamide
CID 1168468
N-(4-bromophenyl)-5-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-2-fluorobenzamide
CID 15998852
1-(2-methylphenyl)-4-(4-methylphenyl)sulfonylpiperazine
CID 674120
1-(4-bromophenyl)sulfonyl-4-(6-methyl-2-pyridinyl)piperazine
CID 3264362
1-(2,3-dimethylphenyl)-4-(2,4-dimethylphenyl)sulfonylpiperazine
CID 2114453
1-(3-chloro-2-methylphenyl)-4-(4-iodophenyl)sulfonylpiperazine
CID 91670020
4-(2,3-dimethylphenyl)-N,N-dimethylpiperazine-1-sulfonamide
CID 742913

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine?
The IUPAC name of 1-(4-bromophenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine (CID 1344730) is 1-(4-bromophenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine.
What is the SMILES notation for 1-(4-bromophenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine?
The canonical SMILES for 1-(4-bromophenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine is Cc1cccc(N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)c1C.
What is the InChIKey of 1-(4-bromophenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine?
The InChIKey is IHAGDIPGQIAWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O2S/c1-14-4-3-5-18(15(14)2)20-10-12-21(13-11-20)24(22,23)17-8-6-16(19)7-9-17/h3-9H,10-13H2,1-2H3.
What are the key properties of 1-(4-bromophenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine?
1-(4-bromophenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine has a molecular weight of 409.35 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine is sourced from PubChem (CID 1344730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).