1-(4-bromo-3-fluorophenyl)sulfonyl-4-methylsulfonylpiperazine

C11H14BrFN2O4S2 — CID 103697257

IUPAC1-(4-bromo-3-fluorophenyl)sulfonyl-4-methylsulfonylpiperazine
SMILESCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(Br)c(F)c2)CC1
InChIInChI=1S/C11H14BrFN2O4S2/c1-20(16,17)14-4-6-15(7-5-14)21(18,19)9-2-3-10(12)11(13)8-9/h2-3,8H,4-7H2,1H3
InChIKeyUYOCMMJNWPBZDW-UHFFFAOYSA-N
MW401.28 g/mol
LogP0.85
Rot. Bonds3

About 1-(4-bromo-3-fluorophenyl)sulfonyl-4-methylsulfonylpiperazine

1-(4-bromo-3-fluorophenyl)sulfonyl-4-methylsulfonylpiperazine (PubChem CID 103697257) has the molecular formula C11H14BrFN2O4S2 and a molecular weight of 401.28 g/mol. Its IUPAC name is 1-(4-bromo-3-fluorophenyl)sulfonyl-4-methylsulfonylpiperazine.

Molecular Properties

Compound Name1-(4-bromo-3-fluorophenyl)sulfonyl-4-methylsulfonylpiperazine
PubChem CID103697257
Molecular FormulaC11H14BrFN2O4S2
Molecular Weight401.28 g/mol
Exact Mass399.96
IUPAC Name1-(4-bromo-3-fluorophenyl)sulfonyl-4-methylsulfonylpiperazine
SMILESCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(Br)c(F)c2)CC1
InChIInChI=1S/C11H14BrFN2O4S2/c1-20(16,17)14-4-6-15(7-5-14)21(18,19)9-2-3-10(12)11(13)8-9/h2-3,8H,4-7H2,1H3
InChIKeyUYOCMMJNWPBZDW-UHFFFAOYSA-N
XLogP0.85
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.28
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromo-3-fluorophenyl)sulfonyl-4-methyl-1,4-diazepane
CID 113349608
1-(3-fluoro-4-methoxyphenyl)sulfonyl-4-methylsulfonylpiperazine
CID 110818979
1-(3-chloro-4-fluorophenyl)sulfonyl-4-methylsulfonyl-1,4-diazepane
CID 31814418
1-(4-bromo-3-fluorophenyl)sulfonyl-1,4-diazepane;hydrochloride
CID 119963513
4-(4-bromo-3-fluorophenyl)sulfonyl-2,6-dimethylthiomorpholine
CID 103697971
[1-(4-bromo-3-fluorophenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 103828949
1-(4-bromo-3-fluorophenyl)sulfonyl-3-methylpiperazine
CID 103829007
2-[1-(4-bromo-3-fluorophenyl)sulfonylpiperidin-4-yl]-N-methylethanamine;hydrochloride
CID 120718475
N-[[1-(4-bromo-3-fluorophenyl)sulfonylpiperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119990644
1-(4-bromo-3-methylphenyl)sulfonyl-4-(2,4-difluorophenyl)sulfonylpiperazine
CID 26530634
tert-butyl 4-(4-bromo-3-fluorophenyl)sulfonyl-1,4-diazepane-1-carboxylate
CID 58901884
1-(4-bromo-2-fluorophenyl)sulfonyl-4-methylsulfonylpiperazine
CID 116528265

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-fluorophenyl)sulfonyl-4-methylsulfonylpiperazine?
The IUPAC name of 1-(4-bromo-3-fluorophenyl)sulfonyl-4-methylsulfonylpiperazine (CID 103697257) is 1-(4-bromo-3-fluorophenyl)sulfonyl-4-methylsulfonylpiperazine.
What is the SMILES notation for 1-(4-bromo-3-fluorophenyl)sulfonyl-4-methylsulfonylpiperazine?
The canonical SMILES for 1-(4-bromo-3-fluorophenyl)sulfonyl-4-methylsulfonylpiperazine is CS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(Br)c(F)c2)CC1.
What is the InChIKey of 1-(4-bromo-3-fluorophenyl)sulfonyl-4-methylsulfonylpiperazine?
The InChIKey is UYOCMMJNWPBZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFN2O4S2/c1-20(16,17)14-4-6-15(7-5-14)21(18,19)9-2-3-10(12)11(13)8-9/h2-3,8H,4-7H2,1H3.
What are the key properties of 1-(4-bromo-3-fluorophenyl)sulfonyl-4-methylsulfonylpiperazine?
1-(4-bromo-3-fluorophenyl)sulfonyl-4-methylsulfonylpiperazine has a molecular weight of 401.28 g/mol, XLogP of 0.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-fluorophenyl)sulfonyl-4-methylsulfonylpiperazine is sourced from PubChem (CID 103697257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).