1-(4-bromo-3-methylphenyl)sulfonyl-4-(2-chlorophenyl)piperazine

C17H18BrClN2O2S — CID 26947991

IUPAC1-(4-bromo-3-methylphenyl)sulfonyl-4-(2-chlorophenyl)piperazine
SMILESCc1cc(S(=O)(=O)N2CCN(c3ccccc3Cl)CC2)ccc1Br
InChIInChI=1S/C17H18BrClN2O2S/c1-13-12-14(6-7-15(13)18)24(22,23)21-10-8-20(9-11-21)17-5-3-2-4-16(17)19/h2-7,12H,8-11H2,1H3
InChIKeyYNMOMDRTBSBVEL-UHFFFAOYSA-N
MW429.77 g/mol
LogP3.92
Rot. Bonds3

About 1-(4-bromo-3-methylphenyl)sulfonyl-4-(2-chlorophenyl)piperazine

1-(4-bromo-3-methylphenyl)sulfonyl-4-(2-chlorophenyl)piperazine (PubChem CID 26947991) has the molecular formula C17H18BrClN2O2S and a molecular weight of 429.77 g/mol. Its IUPAC name is 1-(4-bromo-3-methylphenyl)sulfonyl-4-(2-chlorophenyl)piperazine.

Molecular Properties

Compound Name1-(4-bromo-3-methylphenyl)sulfonyl-4-(2-chlorophenyl)piperazine
PubChem CID26947991
Molecular FormulaC17H18BrClN2O2S
Molecular Weight429.77 g/mol
Exact Mass428.00
IUPAC Name1-(4-bromo-3-methylphenyl)sulfonyl-4-(2-chlorophenyl)piperazine
SMILESCc1cc(S(=O)(=O)N2CCN(c3ccccc3Cl)CC2)ccc1Br
InChIInChI=1S/C17H18BrClN2O2S/c1-13-12-14(6-7-15(13)18)24(22,23)21-10-8-20(9-11-21)17-5-3-2-4-16(17)19/h2-7,12H,8-11H2,1H3
InChIKeyYNMOMDRTBSBVEL-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-(4-bromo-3-methylphenyl)sulfonylpyrrolidine
CID 4885054
1-(4-bromo-3-methylphenyl)sulfonyl-4-(2,6-dimethylphenyl)piperazine
CID 91670238
1-(4-bromo-3-ethoxyphenyl)sulfonyl-4-(3-chloro-2-methylphenyl)piperazine
CID 91670040
1-(2-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine
CID 2098005
1-(2-chlorophenyl)-4-(4,5-dibromothiophen-2-yl)sulfonylpiperazine
CID 3587621
1-(1,3-benzodioxol-5-ylsulfonyl)-4-(2-chlorophenyl)piperazine
CID 113076649
1-(3-chloro-2-methylphenyl)-4-(4-methoxy-3-methylphenyl)sulfonylpiperazine
CID 2211092
1-(2-chlorophenyl)-4-(3,4-diethoxyphenyl)sulfonylpiperazine
CID 9030930
1-(3,4-dimethylphenyl)sulfonyl-4-(2-propan-2-ylphenyl)piperazine
CID 113076142
[4-(4-bromo-3-methylphenyl)sulfonylpiperazin-1-yl]-(3-chlorophenyl)methanone
CID 26905522
1-(4-bromo-3-methylphenyl)sulfonyl-2,5-dihydropyrrole
CID 166178395
4-benzyl-1-(4-bromo-3-methylphenyl)sulfonylpiperidine
CID 7938048

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-methylphenyl)sulfonyl-4-(2-chlorophenyl)piperazine?
The IUPAC name of 1-(4-bromo-3-methylphenyl)sulfonyl-4-(2-chlorophenyl)piperazine (CID 26947991) is 1-(4-bromo-3-methylphenyl)sulfonyl-4-(2-chlorophenyl)piperazine.
What is the SMILES notation for 1-(4-bromo-3-methylphenyl)sulfonyl-4-(2-chlorophenyl)piperazine?
The canonical SMILES for 1-(4-bromo-3-methylphenyl)sulfonyl-4-(2-chlorophenyl)piperazine is Cc1cc(S(=O)(=O)N2CCN(c3ccccc3Cl)CC2)ccc1Br.
What is the InChIKey of 1-(4-bromo-3-methylphenyl)sulfonyl-4-(2-chlorophenyl)piperazine?
The InChIKey is YNMOMDRTBSBVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrClN2O2S/c1-13-12-14(6-7-15(13)18)24(22,23)21-10-8-20(9-11-21)17-5-3-2-4-16(17)19/h2-7,12H,8-11H2,1H3.
What are the key properties of 1-(4-bromo-3-methylphenyl)sulfonyl-4-(2-chlorophenyl)piperazine?
1-(4-bromo-3-methylphenyl)sulfonyl-4-(2-chlorophenyl)piperazine 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-(4-bromo-3-methylphenyl)sulfonyl-4-(2-chlorophenyl)piperazine is sourced from PubChem (CID 26947991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).