1-(4-bromo-2-fluorophenyl)sulfonyl-4-methylsulfonylpiperazine

C11H14BrFN2O4S2 — CID 116528265

IUPAC1-(4-bromo-2-fluorophenyl)sulfonyl-4-methylsulfonylpiperazine
SMILESCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2F)CC1
InChIInChI=1S/C11H14BrFN2O4S2/c1-20(16,17)14-4-6-15(7-5-14)21(18,19)11-3-2-9(12)8-10(11)13/h2-3,8H,4-7H2,1H3
InChIKeyAHNHWWKGBKUXCW-UHFFFAOYSA-N
MW401.28 g/mol
LogP0.85
Rot. Bonds3

About 1-(4-bromo-2-fluorophenyl)sulfonyl-4-methylsulfonylpiperazine

1-(4-bromo-2-fluorophenyl)sulfonyl-4-methylsulfonylpiperazine (PubChem CID 116528265) has the molecular formula C11H14BrFN2O4S2 and a molecular weight of 401.28 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)sulfonyl-4-methylsulfonylpiperazine.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)sulfonyl-4-methylsulfonylpiperazine
PubChem CID116528265
Molecular FormulaC11H14BrFN2O4S2
Molecular Weight401.28 g/mol
Exact Mass399.96
IUPAC Name1-(4-bromo-2-fluorophenyl)sulfonyl-4-methylsulfonylpiperazine
SMILESCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2F)CC1
InChIInChI=1S/C11H14BrFN2O4S2/c1-20(16,17)14-4-6-15(7-5-14)21(18,19)11-3-2-9(12)8-10(11)13/h2-3,8H,4-7H2,1H3
InChIKeyAHNHWWKGBKUXCW-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-(2,4-difluorophenyl)sulfonyl-4-methylsulfonylpiperazine
CID 19684016
1-(2,5-dibromophenyl)sulfonyl-4-methylsulfonylpiperazine
CID 60640129
1-(4-bromo-2-fluorophenyl)sulfonyl-4-cyclopropylpiperazine
CID 116528277
4-(4-bromo-2-fluorophenyl)sulfonyl-1,4-thiazinane 1,1-dioxide
CID 116528119
4-(4-bromo-2-fluorophenyl)sulfonyl-1,2,6-trimethylpiperazine
CID 114389646
[1-(4-bromo-2-fluorophenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 116527858
1,4-bis[(2,4-dibromophenyl)sulfonyl]-1,4-diazepane
CID 21210164
(3S)-1-(4-bromo-2-fluorophenyl)sulfonyl-3-methylpiperazine;hydrochloride
CID 120713063
5-(4-bromo-2-fluorophenyl)sulfonyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 116527932
1-(4-bromo-2-fluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 120708382
7-(4-bromo-2-fluorophenyl)sulfonyl-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 116528707
1-(4-bromo-3-fluorophenyl)sulfonyl-4-methylsulfonylpiperazine
CID 103697257

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)sulfonyl-4-methylsulfonylpiperazine?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)sulfonyl-4-methylsulfonylpiperazine (CID 116528265) is 1-(4-bromo-2-fluorophenyl)sulfonyl-4-methylsulfonylpiperazine.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)sulfonyl-4-methylsulfonylpiperazine?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)sulfonyl-4-methylsulfonylpiperazine is CS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2F)CC1.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)sulfonyl-4-methylsulfonylpiperazine?
The InChIKey is AHNHWWKGBKUXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFN2O4S2/c1-20(16,17)14-4-6-15(7-5-14)21(18,19)11-3-2-9(12)8-10(11)13/h2-3,8H,4-7H2,1H3.
What are the key properties of 1-(4-bromo-2-fluorophenyl)sulfonyl-4-methylsulfonylpiperazine?
1-(4-bromo-2-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-2-fluorophenyl)sulfonyl-4-methylsulfonylpiperazine is sourced from PubChem (CID 116528265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).