1-(4-bromo-2,5-dimethylphenyl)sulfonyl-4-(2,4-dimethylphenyl)piperazine

C20H25BrN2O2S — CID 2137807

IUPAC1-(4-bromo-2,5-dimethylphenyl)sulfonyl-4-(2,4-dimethylphenyl)piperazine
SMILESCc1ccc(N2CCN(S(=O)(=O)c3cc(C)c(Br)cc3C)CC2)c(C)c1
InChIInChI=1S/C20H25BrN2O2S/c1-14-5-6-19(16(3)11-14)22-7-9-23(10-8-22)26(24,25)20-13-15(2)18(21)12-17(20)4/h5-6,11-13H,7-10H2,1-4H3
InChIKeyBKKXPTHIKDQXNU-UHFFFAOYSA-N
MW437.40 g/mol
LogP4.19
Rot. Bonds3

About 1-(4-bromo-2,5-dimethylphenyl)sulfonyl-4-(2,4-dimethylphenyl)piperazine

1-(4-bromo-2,5-dimethylphenyl)sulfonyl-4-(2,4-dimethylphenyl)piperazine (PubChem CID 2137807) has the molecular formula C20H25BrN2O2S and a molecular weight of 437.40 g/mol. Its IUPAC name is 1-(4-bromo-2,5-dimethylphenyl)sulfonyl-4-(2,4-dimethylphenyl)piperazine.

Molecular Properties

Compound Name1-(4-bromo-2,5-dimethylphenyl)sulfonyl-4-(2,4-dimethylphenyl)piperazine
PubChem CID2137807
Molecular FormulaC20H25BrN2O2S
Molecular Weight437.40 g/mol
Exact Mass436.08
IUPAC Name1-(4-bromo-2,5-dimethylphenyl)sulfonyl-4-(2,4-dimethylphenyl)piperazine
SMILESCc1ccc(N2CCN(S(=O)(=O)c3cc(C)c(Br)cc3C)CC2)c(C)c1
InChIInChI=1S/C20H25BrN2O2S/c1-14-5-6-19(16(3)11-14)22-7-9-23(10-8-22)26(24,25)20-13-15(2)18(21)12-17(20)4/h5-6,11-13H,7-10H2,1-4H3
InChIKeyBKKXPTHIKDQXNU-UHFFFAOYSA-N
XLogP4.19
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.40
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dimethylphenyl)sulfonyl-4-(2-methylphenyl)piperazine
CID 6465958
1,4-bis[(4-bromo-2,5-dimethylphenyl)sulfonyl]-1,4-diazepane
CID 21210286
1-(4-bromo-2,5-dimethylphenyl)sulfonyl-4-(4-fluorophenyl)piperazine
CID 1184061
1-(2,4-dimethylphenyl)-4-ethylsulfonylpiperazine
CID 23987033
1-(2,4-dimethylphenyl)-4-(3,4-dimethylphenyl)sulfonylpiperazine
CID 1293254
1-(2-bromo-4,5-dimethylphenyl)sulfonyl-4-(2,4,6-trimethylphenyl)piperazine
CID 91669810
1-(2,4-dichlorophenyl)-4-(2,5-dimethylphenyl)sulfonylpiperazine
CID 113080251
1-(2,3-dimethylphenyl)-4-(2,4-dimethylphenyl)sulfonylpiperazine
CID 2114453
1-(2,4-dibromo-5-methylphenyl)sulfonyl-4-phenylpiperazine
CID 50876773
1-(4-chloro-2-methylphenyl)-4-(2-methoxy-5-methylphenyl)sulfonylpiperazine
CID 113076822
1-(2,5-dimethylphenyl)-4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazine
CID 113075483
1-(1,3-benzodioxol-5-ylsulfonyl)-4-(2,4-dimethylphenyl)piperazine
CID 113075406

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2,5-dimethylphenyl)sulfonyl-4-(2,4-dimethylphenyl)piperazine?
The IUPAC name of 1-(4-bromo-2,5-dimethylphenyl)sulfonyl-4-(2,4-dimethylphenyl)piperazine (CID 2137807) is 1-(4-bromo-2,5-dimethylphenyl)sulfonyl-4-(2,4-dimethylphenyl)piperazine.
What is the SMILES notation for 1-(4-bromo-2,5-dimethylphenyl)sulfonyl-4-(2,4-dimethylphenyl)piperazine?
The canonical SMILES for 1-(4-bromo-2,5-dimethylphenyl)sulfonyl-4-(2,4-dimethylphenyl)piperazine is Cc1ccc(N2CCN(S(=O)(=O)c3cc(C)c(Br)cc3C)CC2)c(C)c1.
What is the InChIKey of 1-(4-bromo-2,5-dimethylphenyl)sulfonyl-4-(2,4-dimethylphenyl)piperazine?
The InChIKey is BKKXPTHIKDQXNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25BrN2O2S/c1-14-5-6-19(16(3)11-14)22-7-9-23(10-8-22)26(24,25)20-13-15(2)18(21)12-17(20)4/h5-6,11-13H,7-10H2,1-4H3.
What are the key properties of 1-(4-bromo-2,5-dimethylphenyl)sulfonyl-4-(2,4-dimethylphenyl)piperazine?
1-(4-bromo-2,5-dimethylphenyl)sulfonyl-4-(2,4-dimethylphenyl)piperazine has a molecular weight of 437.40 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2,5-dimethylphenyl)sulfonyl-4-(2,4-dimethylphenyl)piperazine is sourced from PubChem (CID 2137807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).