4-(2,5-dibromophenyl)sulfonylpiperazin-2-one

C10H10Br2N2O3S — CID 2604506

IUPAC4-(2,5-dibromophenyl)sulfonylpiperazin-2-one
SMILESO=C1CN(S(=O)(=O)c2cc(Br)ccc2Br)CCN1
InChIInChI=1S/C10H10Br2N2O3S/c11-7-1-2-8(12)9(5-7)18(16,17)14-4-3-13-10(15)6-14/h1-2,5H,3-4,6H2,(H,13,15)
InChIKeyPCZVEXNPBCGPJD-UHFFFAOYSA-N
MW398.08 g/mol
LogP1.33
Rot. Bonds2

About 4-(2,5-dibromophenyl)sulfonylpiperazin-2-one

4-(2,5-dibromophenyl)sulfonylpiperazin-2-one (PubChem CID 2604506) has the molecular formula C10H10Br2N2O3S and a molecular weight of 398.08 g/mol. Its IUPAC name is 4-(2,5-dibromophenyl)sulfonylpiperazin-2-one.

Molecular Properties

Compound Name4-(2,5-dibromophenyl)sulfonylpiperazin-2-one
PubChem CID2604506
Molecular FormulaC10H10Br2N2O3S
Molecular Weight398.08 g/mol
Exact Mass395.88
IUPAC Name4-(2,5-dibromophenyl)sulfonylpiperazin-2-one
SMILESO=C1CN(S(=O)(=O)c2cc(Br)ccc2Br)CCN1
InChIInChI=1S/C10H10Br2N2O3S/c11-7-1-2-8(12)9(5-7)18(16,17)14-4-3-13-10(15)6-14/h1-2,5H,3-4,6H2,(H,13,15)
InChIKeyPCZVEXNPBCGPJD-UHFFFAOYSA-N
XLogP1.33
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.08
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dibromophenyl)sulfonylpiperazin-2-one?
The IUPAC name of 4-(2,5-dibromophenyl)sulfonylpiperazin-2-one (CID 2604506) is 4-(2,5-dibromophenyl)sulfonylpiperazin-2-one.
What is the SMILES notation for 4-(2,5-dibromophenyl)sulfonylpiperazin-2-one?
The canonical SMILES for 4-(2,5-dibromophenyl)sulfonylpiperazin-2-one is O=C1CN(S(=O)(=O)c2cc(Br)ccc2Br)CCN1.
What is the InChIKey of 4-(2,5-dibromophenyl)sulfonylpiperazin-2-one?
The InChIKey is PCZVEXNPBCGPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Br2N2O3S/c11-7-1-2-8(12)9(5-7)18(16,17)14-4-3-13-10(15)6-14/h1-2,5H,3-4,6H2,(H,13,15).
What are the key properties of 4-(2,5-dibromophenyl)sulfonylpiperazin-2-one?
4-(2,5-dibromophenyl)sulfonylpiperazin-2-one has a molecular weight of 398.08 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dibromophenyl)sulfonylpiperazin-2-one is sourced from PubChem (CID 2604506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).