1-(4-bromo-3-methylphenyl)sulfonyl-4-(2,6-dimethylphenyl)piperazine

C19H23BrN2O2S — CID 91670238

IUPAC1-(4-bromo-3-methylphenyl)sulfonyl-4-(2,6-dimethylphenyl)piperazine
SMILESCc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)ccc1Br
InChIInChI=1S/C19H23BrN2O2S/c1-14-5-4-6-15(2)19(14)21-9-11-22(12-10-21)25(23,24)17-7-8-18(20)16(3)13-17/h4-8,13H,9-12H2,1-3H3
InChIKeyWFADRFJTSOKXEZ-UHFFFAOYSA-N
MW423.38 g/mol
LogP3.89
Rot. Bonds3

About 1-(4-bromo-3-methylphenyl)sulfonyl-4-(2,6-dimethylphenyl)piperazine

1-(4-bromo-3-methylphenyl)sulfonyl-4-(2,6-dimethylphenyl)piperazine (PubChem CID 91670238) has the molecular formula C19H23BrN2O2S and a molecular weight of 423.38 g/mol. Its IUPAC name is 1-(4-bromo-3-methylphenyl)sulfonyl-4-(2,6-dimethylphenyl)piperazine.

Molecular Properties

Compound Name1-(4-bromo-3-methylphenyl)sulfonyl-4-(2,6-dimethylphenyl)piperazine
PubChem CID91670238
Molecular FormulaC19H23BrN2O2S
Molecular Weight423.38 g/mol
Exact Mass422.07
IUPAC Name1-(4-bromo-3-methylphenyl)sulfonyl-4-(2,6-dimethylphenyl)piperazine
SMILESCc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)ccc1Br
InChIInChI=1S/C19H23BrN2O2S/c1-14-5-4-6-15(2)19(14)21-9-11-22(12-10-21)25(23,24)17-7-8-18(20)16(3)13-17/h4-8,13H,9-12H2,1-3H3
InChIKeyWFADRFJTSOKXEZ-UHFFFAOYSA-N
XLogP3.89
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.38
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-3-methylphenyl)sulfonyl-4-(2-chlorophenyl)piperazine
CID 26947991
1-(4-bromo-3-methylphenyl)sulfonylpyrrolidine
CID 4885054
1-(2,6-dimethylphenyl)-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 3701613
3-[4-(2,6-dimethylphenyl)piperazin-1-yl]sulfonylbenzonitrile
CID 3376682
1-(4-bromo-3-methylphenyl)sulfonyl-2,5-dihydropyrrole
CID 166178395
6-[4-(2,6-dimethylphenyl)piperazin-1-yl]sulfonylchromen-2-one
CID 146075208
1-(4-bromo-3-methylphenyl)sulfonyl-4-butan-2-ylpiperazine
CID 62777859
ethyl 4-(4-bromo-3-methylphenyl)sulfonylpiperazine-1-carboxylate
CID 26947788
1-(4-bromo-3-methylphenyl)sulfonyl-4-(2,4-difluorophenyl)sulfonylpiperazine
CID 26530634
[4-(4-bromo-3-methylphenyl)sulfonylpiperazin-1-yl]-(3-chlorophenyl)methanone
CID 26905522
1-(3-chlorophenyl)sulfonyl-4-(2,4,6-trimethylphenyl)piperazine
CID 19132655
1-(2-bromo-6-chlorophenyl)-4-(4-methylphenyl)sulfonylpiperazine
CID 169336690

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-methylphenyl)sulfonyl-4-(2,6-dimethylphenyl)piperazine?
The IUPAC name of 1-(4-bromo-3-methylphenyl)sulfonyl-4-(2,6-dimethylphenyl)piperazine (CID 91670238) is 1-(4-bromo-3-methylphenyl)sulfonyl-4-(2,6-dimethylphenyl)piperazine.
What is the SMILES notation for 1-(4-bromo-3-methylphenyl)sulfonyl-4-(2,6-dimethylphenyl)piperazine?
The canonical SMILES for 1-(4-bromo-3-methylphenyl)sulfonyl-4-(2,6-dimethylphenyl)piperazine is Cc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)ccc1Br.
What is the InChIKey of 1-(4-bromo-3-methylphenyl)sulfonyl-4-(2,6-dimethylphenyl)piperazine?
The InChIKey is WFADRFJTSOKXEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN2O2S/c1-14-5-4-6-15(2)19(14)21-9-11-22(12-10-21)25(23,24)17-7-8-18(20)16(3)13-17/h4-8,13H,9-12H2,1-3H3.
What are the key properties of 1-(4-bromo-3-methylphenyl)sulfonyl-4-(2,6-dimethylphenyl)piperazine?
1-(4-bromo-3-methylphenyl)sulfonyl-4-(2,6-dimethylphenyl)piperazine has a molecular weight of 423.38 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-methylphenyl)sulfonyl-4-(2,6-dimethylphenyl)piperazine is sourced from PubChem (CID 91670238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).