1-(5-bromo-4-fluoro-2-methylphenyl)sulfonylpiperazine

C11H14BrFN2O2S — CID 120706601

IUPAC1-(5-bromo-4-fluoro-2-methylphenyl)sulfonylpiperazine
SMILESCc1cc(F)c(Br)cc1S(=O)(=O)N1CCNCC1
InChIInChI=1S/C11H14BrFN2O2S/c1-8-6-10(13)9(12)7-11(8)18(16,17)15-4-2-14-3-5-15/h6-7,14H,2-5H2,1H3
InChIKeyQWVFHZLXGWRPDA-UHFFFAOYSA-N
MW337.21 g/mol
LogP1.49
Rot. Bonds2

About 1-(5-bromo-4-fluoro-2-methylphenyl)sulfonylpiperazine

1-(5-bromo-4-fluoro-2-methylphenyl)sulfonylpiperazine (PubChem CID 120706601) has the molecular formula C11H14BrFN2O2S and a molecular weight of 337.21 g/mol. Its IUPAC name is 1-(5-bromo-4-fluoro-2-methylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(5-bromo-4-fluoro-2-methylphenyl)sulfonylpiperazine
PubChem CID120706601
Molecular FormulaC11H14BrFN2O2S
Molecular Weight337.21 g/mol
Exact Mass335.99
IUPAC Name1-(5-bromo-4-fluoro-2-methylphenyl)sulfonylpiperazine
SMILESCc1cc(F)c(Br)cc1S(=O)(=O)N1CCNCC1
InChIInChI=1S/C11H14BrFN2O2S/c1-8-6-10(13)9(12)7-11(8)18(16,17)15-4-2-14-3-5-15/h6-7,14H,2-5H2,1H3
InChIKeyQWVFHZLXGWRPDA-UHFFFAOYSA-N
XLogP1.49
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.21
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3aR,6aS)-5-(5-bromo-4-fluoro-2-methylphenyl)sulfonyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 120714023
1-[1-(5-bromo-4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 120709723
N-[[1-(5-bromo-4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]methyl]ethanamine;hydrochloride
CID 120711985
1-(2,5-dimethylphenyl)sulfonylpiperazine;hydrochloride
CID 119961871
1-(2,5-dimethylphenyl)sulfonyl-1,4,7-triazonane
CID 175127443
1-(3-fluoro-4-methylphenyl)sulfonylpiperazine;hydrochloride
CID 119961493
1,4-bis[(4-bromo-2,5-dimethylphenyl)sulfonyl]-1,4-diazepane
CID 21210286
1-(4,5-dimethoxy-2-methylphenyl)sulfonyl-1,4-diazepane;hydrochloride
CID 119963342
1-(4-bromo-2,5-dimethylphenyl)sulfonyl-4-(4-fluorophenyl)piperazine
CID 1184061
1-(4-bromo-3-fluorophenyl)sulfonyl-1,4-diazepane;hydrochloride
CID 119963513
1-[2-methyl-4-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepane;hydrochloride
CID 120999360
(3aR,6aS)-5-(5-bromo-2,4-difluorophenyl)sulfonyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 120665338

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-fluoro-2-methylphenyl)sulfonylpiperazine?
The IUPAC name of 1-(5-bromo-4-fluoro-2-methylphenyl)sulfonylpiperazine (CID 120706601) is 1-(5-bromo-4-fluoro-2-methylphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(5-bromo-4-fluoro-2-methylphenyl)sulfonylpiperazine?
The canonical SMILES for 1-(5-bromo-4-fluoro-2-methylphenyl)sulfonylpiperazine is Cc1cc(F)c(Br)cc1S(=O)(=O)N1CCNCC1.
What is the InChIKey of 1-(5-bromo-4-fluoro-2-methylphenyl)sulfonylpiperazine?
The InChIKey is QWVFHZLXGWRPDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFN2O2S/c1-8-6-10(13)9(12)7-11(8)18(16,17)15-4-2-14-3-5-15/h6-7,14H,2-5H2,1H3.
What are the key properties of 1-(5-bromo-4-fluoro-2-methylphenyl)sulfonylpiperazine?
1-(5-bromo-4-fluoro-2-methylphenyl)sulfonylpiperazine has a molecular weight of 337.21 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-4-fluoro-2-methylphenyl)sulfonylpiperazine is sourced from PubChem (CID 120706601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).