4-(5-amino-2-bromophenyl)sulfonylpiperazin-2-one

C10H12BrN3O3S — CID 65202086

IUPAC4-(5-amino-2-bromophenyl)sulfonylpiperazin-2-one
SMILESNc1ccc(Br)c(S(=O)(=O)N2CCNC(=O)C2)c1
InChIInChI=1S/C10H12BrN3O3S/c11-8-2-1-7(12)5-9(8)18(16,17)14-4-3-13-10(15)6-14/h1-2,5H,3-4,6,12H2,(H,13,15)
InChIKeyZIWWDPZJMHDENV-UHFFFAOYSA-N
MW334.20 g/mol
LogP0.15
Rot. Bonds2

About 4-(5-amino-2-bromophenyl)sulfonylpiperazin-2-one

4-(5-amino-2-bromophenyl)sulfonylpiperazin-2-one (PubChem CID 65202086) has the molecular formula C10H12BrN3O3S and a molecular weight of 334.20 g/mol. Its IUPAC name is 4-(5-amino-2-bromophenyl)sulfonylpiperazin-2-one.

Molecular Properties

Compound Name4-(5-amino-2-bromophenyl)sulfonylpiperazin-2-one
PubChem CID65202086
Molecular FormulaC10H12BrN3O3S
Molecular Weight334.20 g/mol
Exact Mass332.98
IUPAC Name4-(5-amino-2-bromophenyl)sulfonylpiperazin-2-one
SMILESNc1ccc(Br)c(S(=O)(=O)N2CCNC(=O)C2)c1
InChIInChI=1S/C10H12BrN3O3S/c11-8-2-1-7(12)5-9(8)18(16,17)14-4-3-13-10(15)6-14/h1-2,5H,3-4,6,12H2,(H,13,15)
InChIKeyZIWWDPZJMHDENV-UHFFFAOYSA-N
XLogP0.15
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.20
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(4-amino-2-bromophenyl)sulfonylpiperazin-2-one
CID 43255788
4-(2-amino-5-bromophenyl)sulfonylpiperazin-2-one
CID 54888933
4-(4-aminophenyl)sulfonylpiperazin-2-one
CID 16783955
4-(4-amino-2-methoxyphenyl)sulfonylpiperazin-2-one
CID 43257198
4-bromo-3-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]aniline
CID 65206857
4-[(2-amino-5-bromo-3-pyridinyl)sulfonyl]piperazin-2-one
CID 62143361
4-(3-amino-2-bromo-5-chlorophenyl)sulfonylpiperazin-2-one
CID 55152526
4-(3-amino-4-bromo-5-chloro-2-fluorophenyl)sulfonylpiperazin-2-one
CID 103077171
5-bromo-4-(3-oxopiperazin-1-yl)sulfonylfuran-2-carboxylic acid
CID 62804167
5-amino-2-[(3-oxo-1,4-diazepan-1-yl)sulfonyl]benzonitrile
CID 65360997
1-(5-amino-2-methoxyphenyl)sulfonyl-1,4-diazepan-5-one
CID 62056952
1-(2,5-dibromophenyl)sulfonylimidazolidin-2-one
CID 61216229

Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-2-bromophenyl)sulfonylpiperazin-2-one?
The IUPAC name of 4-(5-amino-2-bromophenyl)sulfonylpiperazin-2-one (CID 65202086) is 4-(5-amino-2-bromophenyl)sulfonylpiperazin-2-one.
What is the SMILES notation for 4-(5-amino-2-bromophenyl)sulfonylpiperazin-2-one?
The canonical SMILES for 4-(5-amino-2-bromophenyl)sulfonylpiperazin-2-one is Nc1ccc(Br)c(S(=O)(=O)N2CCNC(=O)C2)c1.
What is the InChIKey of 4-(5-amino-2-bromophenyl)sulfonylpiperazin-2-one?
The InChIKey is ZIWWDPZJMHDENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3O3S/c11-8-2-1-7(12)5-9(8)18(16,17)14-4-3-13-10(15)6-14/h1-2,5H,3-4,6,12H2,(H,13,15).
What are the key properties of 4-(5-amino-2-bromophenyl)sulfonylpiperazin-2-one?
4-(5-amino-2-bromophenyl)sulfonylpiperazin-2-one has a molecular weight of 334.20 g/mol, XLogP of 0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-2-bromophenyl)sulfonylpiperazin-2-one is sourced from PubChem (CID 65202086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).