1-(2-bromo-6-chlorophenyl)-4-(4-methylphenyl)sulfonylpiperazine

C17H18BrClN2O2S — CID 169336690

IUPAC1-(2-bromo-6-chlorophenyl)-4-(4-methylphenyl)sulfonylpiperazine
SMILESCc1ccc(S(=O)(=O)N2CCN(c3c(Cl)cccc3Br)CC2)cc1
InChIInChI=1S/C17H18BrClN2O2S/c1-13-5-7-14(8-6-13)24(22,23)21-11-9-20(10-12-21)17-15(18)3-2-4-16(17)19/h2-8H,9-12H2,1H3
InChIKeyYVDIENSVBYOJNS-UHFFFAOYSA-N
MW429.77 g/mol
LogP3.92
Rot. Bonds3

About 1-(2-bromo-6-chlorophenyl)-4-(4-methylphenyl)sulfonylpiperazine

1-(2-bromo-6-chlorophenyl)-4-(4-methylphenyl)sulfonylpiperazine (PubChem CID 169336690) has the molecular formula C17H18BrClN2O2S and a molecular weight of 429.77 g/mol. Its IUPAC name is 1-(2-bromo-6-chlorophenyl)-4-(4-methylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(2-bromo-6-chlorophenyl)-4-(4-methylphenyl)sulfonylpiperazine
PubChem CID169336690
Molecular FormulaC17H18BrClN2O2S
Molecular Weight429.77 g/mol
Exact Mass428.00
IUPAC Name1-(2-bromo-6-chlorophenyl)-4-(4-methylphenyl)sulfonylpiperazine
SMILESCc1ccc(S(=O)(=O)N2CCN(c3c(Cl)cccc3Br)CC2)cc1
InChIInChI=1S/C17H18BrClN2O2S/c1-13-5-7-14(8-6-13)24(22,23)21-11-9-20(10-12-21)17-15(18)3-2-4-16(17)19/h2-8H,9-12H2,1H3
InChIKeyYVDIENSVBYOJNS-UHFFFAOYSA-N
XLogP3.92
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.77
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-diethylphenyl)-4-(4-methylphenyl)sulfonylpiperazine
CID 113076386
[4-(2-bromo-6-chlorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 169336868
3-bromo-N-[3-chloro-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]phenyl]-4-methoxybenzamide
CID 17091638
N-[3-chloro-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]phenyl]-2-(4-chlorophenyl)acetamide
CID 17092364
1-(4-bromo-3-methylphenyl)sulfonyl-4-(2,6-dimethylphenyl)piperazine
CID 91670238
3-bromo-N-[[3-chloro-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]phenyl]carbamothioyl]benzamide
CID 17091987
1-(4-methylphenyl)sulfonyl-azacycloundecane
CID 12715310
N-[3-chloro-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]phenyl]-2-methoxybenzamide
CID 17091633
4-bromo-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindole
CID 15167897
1-(2-methylphenyl)-4-(4-methylphenyl)sulfonylpiperazine
CID 674120
1-(4-bromo-3-methylphenyl)sulfonyl-4-(2-chlorophenyl)piperazine
CID 26947991
1-methyl-4,7,10-tris-(4-methylphenyl)sulfonyl-1,4,7,10-tetrazacyclododecane
CID 12035988

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-6-chlorophenyl)-4-(4-methylphenyl)sulfonylpiperazine?
The IUPAC name of 1-(2-bromo-6-chlorophenyl)-4-(4-methylphenyl)sulfonylpiperazine (CID 169336690) is 1-(2-bromo-6-chlorophenyl)-4-(4-methylphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(2-bromo-6-chlorophenyl)-4-(4-methylphenyl)sulfonylpiperazine?
The canonical SMILES for 1-(2-bromo-6-chlorophenyl)-4-(4-methylphenyl)sulfonylpiperazine is Cc1ccc(S(=O)(=O)N2CCN(c3c(Cl)cccc3Br)CC2)cc1.
What is the InChIKey of 1-(2-bromo-6-chlorophenyl)-4-(4-methylphenyl)sulfonylpiperazine?
The InChIKey is YVDIENSVBYOJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrClN2O2S/c1-13-5-7-14(8-6-13)24(22,23)21-11-9-20(10-12-21)17-15(18)3-2-4-16(17)19/h2-8H,9-12H2,1H3.
What are the key properties of 1-(2-bromo-6-chlorophenyl)-4-(4-methylphenyl)sulfonylpiperazine?
1-(2-bromo-6-chlorophenyl)-4-(4-methylphenyl)sulfonylpiperazine has a molecular weight of 429.77 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-6-chlorophenyl)-4-(4-methylphenyl)sulfonylpiperazine is sourced from PubChem (CID 169336690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).