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

C18H20BrFN2O2S — CID 1184061

IUPAC1-(4-bromo-2,5-dimethylphenyl)sulfonyl-4-(4-fluorophenyl)piperazine
SMILESCc1cc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c(C)cc1Br
InChIInChI=1S/C18H20BrFN2O2S/c1-13-12-18(14(2)11-17(13)19)25(23,24)22-9-7-21(8-10-22)16-5-3-15(20)4-6-16/h3-6,11-12H,7-10H2,1-2H3
InChIKeyWJBURYKYWFKKEE-UHFFFAOYSA-N
MW427.34 g/mol
LogP3.72
Rot. Bonds3

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

1-(4-bromo-2,5-dimethylphenyl)sulfonyl-4-(4-fluorophenyl)piperazine (PubChem CID 1184061) has the molecular formula C18H20BrFN2O2S and a molecular weight of 427.34 g/mol. Its IUPAC name is 1-(4-bromo-2,5-dimethylphenyl)sulfonyl-4-(4-fluorophenyl)piperazine.

Molecular Properties

Compound Name1-(4-bromo-2,5-dimethylphenyl)sulfonyl-4-(4-fluorophenyl)piperazine
PubChem CID1184061
Molecular FormulaC18H20BrFN2O2S
Molecular Weight427.34 g/mol
Exact Mass426.04
IUPAC Name1-(4-bromo-2,5-dimethylphenyl)sulfonyl-4-(4-fluorophenyl)piperazine
SMILESCc1cc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c(C)cc1Br
InChIInChI=1S/C18H20BrFN2O2S/c1-13-12-18(14(2)11-17(13)19)25(23,24)22-9-7-21(8-10-22)16-5-3-15(20)4-6-16/h3-6,11-12H,7-10H2,1-2H3
InChIKeyWJBURYKYWFKKEE-UHFFFAOYSA-N
XLogP3.72
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.34
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4-bromo-2,5-dimethylphenyl)sulfonyl-4-(4-fluorophenyl)piperazine 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-(2,4-dibromo-5-methylphenyl)sulfonyl-4-phenylpiperazine
CID 50876773
1,4-bis[(4-bromo-2,5-dimethylphenyl)sulfonyl]-1,4-diazepane
CID 21210286
1-(4-bromo-2,5-dimethoxyphenyl)sulfonyl-4-(4-fluorophenyl)piperazine
CID 1294502
1-(3-bromo-2,4,6-trimethylphenyl)sulfonyl-4-(4-fluorophenyl)piperazine
CID 1184063
2-[4-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-2,5-dimethylphenyl]thiazinane 1,1-dioxide
CID 39776131
1-(4-bromo-2,5-dimethylphenyl)sulfonyl-4-(2,4-dimethylphenyl)piperazine
CID 2137807
1-(2,5-dimethoxy-4-methylphenyl)sulfonyl-4-(4-fluorophenyl)piperazine
CID 6464219
1-(3,4-dichlorophenyl)-4-(5-fluoro-2-methylphenyl)sulfonylpiperazine
CID 3456966
1-(2,4-dichlorophenyl)sulfonyl-4-(4-fluorophenyl)piperazine
CID 2280565
1-(5-bromo-2-ethoxyphenyl)sulfonyl-4-(4-fluorophenyl)piperazine
CID 1184062
1-(4-chloro-2,5-dimethylphenyl)sulfonyl-4-(4-methoxyphenyl)piperazine
CID 2992112
2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylaniline
CID 129451972

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2,5-dimethylphenyl)sulfonyl-4-(4-fluorophenyl)piperazine?
The IUPAC name of 1-(4-bromo-2,5-dimethylphenyl)sulfonyl-4-(4-fluorophenyl)piperazine (CID 1184061) is 1-(4-bromo-2,5-dimethylphenyl)sulfonyl-4-(4-fluorophenyl)piperazine.
What is the SMILES notation for 1-(4-bromo-2,5-dimethylphenyl)sulfonyl-4-(4-fluorophenyl)piperazine?
The canonical SMILES for 1-(4-bromo-2,5-dimethylphenyl)sulfonyl-4-(4-fluorophenyl)piperazine is Cc1cc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c(C)cc1Br.
What is the InChIKey of 1-(4-bromo-2,5-dimethylphenyl)sulfonyl-4-(4-fluorophenyl)piperazine?
The InChIKey is WJBURYKYWFKKEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrFN2O2S/c1-13-12-18(14(2)11-17(13)19)25(23,24)22-9-7-21(8-10-22)16-5-3-15(20)4-6-16/h3-6,11-12H,7-10H2,1-2H3.
What are the key properties of 1-(4-bromo-2,5-dimethylphenyl)sulfonyl-4-(4-fluorophenyl)piperazine?
1-(4-bromo-2,5-dimethylphenyl)sulfonyl-4-(4-fluorophenyl)piperazine has a molecular weight of 427.34 g/mol, XLogP of 3.72, 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-(4-fluorophenyl)piperazine is sourced from PubChem (CID 1184061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).