4-(3-bromophenyl)sulfonylpiperazin-2-one

C10H11BrN2O3S — CID 7509967

IUPAC4-(3-bromophenyl)sulfonylpiperazin-2-one
SMILESO=C1CN(S(=O)(=O)c2cccc(Br)c2)CCN1
InChIInChI=1S/C10H11BrN2O3S/c11-8-2-1-3-9(6-8)17(15,16)13-5-4-12-10(14)7-13/h1-3,6H,4-5,7H2,(H,12,14)
InChIKeyGVPBKAJFZXQIMB-UHFFFAOYSA-N
MW319.18 g/mol
LogP0.57
Rot. Bonds2

About 4-(3-bromophenyl)sulfonylpiperazin-2-one

4-(3-bromophenyl)sulfonylpiperazin-2-one (PubChem CID 7509967) has the molecular formula C10H11BrN2O3S and a molecular weight of 319.18 g/mol. Its IUPAC name is 4-(3-bromophenyl)sulfonylpiperazin-2-one.

Molecular Properties

Compound Name4-(3-bromophenyl)sulfonylpiperazin-2-one
PubChem CID7509967
Molecular FormulaC10H11BrN2O3S
Molecular Weight319.18 g/mol
Exact Mass317.97
IUPAC Name4-(3-bromophenyl)sulfonylpiperazin-2-one
SMILESO=C1CN(S(=O)(=O)c2cccc(Br)c2)CCN1
InChIInChI=1S/C10H11BrN2O3S/c11-8-2-1-3-9(6-8)17(15,16)13-5-4-12-10(14)7-13/h1-3,6H,4-5,7H2,(H,12,14)
InChIKeyGVPBKAJFZXQIMB-UHFFFAOYSA-N
XLogP0.57
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.18
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(3-bromophenyl)sulfonylpiperazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)sulfonylpiperazin-2-one?
The IUPAC name of 4-(3-bromophenyl)sulfonylpiperazin-2-one (CID 7509967) is 4-(3-bromophenyl)sulfonylpiperazin-2-one.
What is the SMILES notation for 4-(3-bromophenyl)sulfonylpiperazin-2-one?
The canonical SMILES for 4-(3-bromophenyl)sulfonylpiperazin-2-one is O=C1CN(S(=O)(=O)c2cccc(Br)c2)CCN1.
What is the InChIKey of 4-(3-bromophenyl)sulfonylpiperazin-2-one?
The InChIKey is GVPBKAJFZXQIMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O3S/c11-8-2-1-3-9(6-8)17(15,16)13-5-4-12-10(14)7-13/h1-3,6H,4-5,7H2,(H,12,14).
What are the key properties of 4-(3-bromophenyl)sulfonylpiperazin-2-one?
4-(3-bromophenyl)sulfonylpiperazin-2-one has a molecular weight of 319.18 g/mol, XLogP of 0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)sulfonylpiperazin-2-one is sourced from PubChem (CID 7509967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).