1-(2,5-dibromophenyl)sulfonyl-4-(4-fluorophenyl)piperazine

C16H15Br2FN2O2S — CID 1282977

IUPAC1-(2,5-dibromophenyl)sulfonyl-4-(4-fluorophenyl)piperazine
SMILESO=S(=O)(c1cc(Br)ccc1Br)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C16H15Br2FN2O2S/c17-12-1-6-15(18)16(11-12)24(22,23)21-9-7-20(8-10-21)14-4-2-13(19)3-5-14/h1-6,11H,7-10H2
InChIKeyGDNQAQPVXXHHDR-UHFFFAOYSA-N
MW478.18 g/mol
LogP3.86
Rot. Bonds3

About 1-(2,5-dibromophenyl)sulfonyl-4-(4-fluorophenyl)piperazine

1-(2,5-dibromophenyl)sulfonyl-4-(4-fluorophenyl)piperazine (PubChem CID 1282977) has the molecular formula C16H15Br2FN2O2S and a molecular weight of 478.18 g/mol. Its IUPAC name is 1-(2,5-dibromophenyl)sulfonyl-4-(4-fluorophenyl)piperazine.

Molecular Properties

Compound Name1-(2,5-dibromophenyl)sulfonyl-4-(4-fluorophenyl)piperazine
PubChem CID1282977
Molecular FormulaC16H15Br2FN2O2S
Molecular Weight478.18 g/mol
Exact Mass475.92
IUPAC Name1-(2,5-dibromophenyl)sulfonyl-4-(4-fluorophenyl)piperazine
SMILESO=S(=O)(c1cc(Br)ccc1Br)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C16H15Br2FN2O2S/c17-12-1-6-15(18)16(11-12)24(22,23)21-9-7-20(8-10-21)14-4-2-13(19)3-5-14/h1-6,11H,7-10H2
InChIKeyGDNQAQPVXXHHDR-UHFFFAOYSA-N
XLogP3.86
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.18
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromophenyl)sulfonyl-4-(4-fluorophenyl)piperazine?
The IUPAC name of 1-(2,5-dibromophenyl)sulfonyl-4-(4-fluorophenyl)piperazine (CID 1282977) is 1-(2,5-dibromophenyl)sulfonyl-4-(4-fluorophenyl)piperazine.
What is the SMILES notation for 1-(2,5-dibromophenyl)sulfonyl-4-(4-fluorophenyl)piperazine?
The canonical SMILES for 1-(2,5-dibromophenyl)sulfonyl-4-(4-fluorophenyl)piperazine is O=S(=O)(c1cc(Br)ccc1Br)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-(2,5-dibromophenyl)sulfonyl-4-(4-fluorophenyl)piperazine?
The InChIKey is GDNQAQPVXXHHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Br2FN2O2S/c17-12-1-6-15(18)16(11-12)24(22,23)21-9-7-20(8-10-21)14-4-2-13(19)3-5-14/h1-6,11H,7-10H2.
What are the key properties of 1-(2,5-dibromophenyl)sulfonyl-4-(4-fluorophenyl)piperazine?
1-(2,5-dibromophenyl)sulfonyl-4-(4-fluorophenyl)piperazine has a molecular weight of 478.18 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dibromophenyl)sulfonyl-4-(4-fluorophenyl)piperazine is sourced from PubChem (CID 1282977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).