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

C10H12BrN3O3S — CID 54888933

IUPAC4-(2-amino-5-bromophenyl)sulfonylpiperazin-2-one
SMILESNc1ccc(Br)cc1S(=O)(=O)N1CCNC(=O)C1
InChIInChI=1S/C10H12BrN3O3S/c11-7-1-2-8(12)9(5-7)18(16,17)14-4-3-13-10(15)6-14/h1-2,5H,3-4,6,12H2,(H,13,15)
InChIKeyIPEDXOSYPWNFMB-UHFFFAOYSA-N
MW334.20 g/mol
LogP0.15
Rot. Bonds2

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

4-(2-amino-5-bromophenyl)sulfonylpiperazin-2-one (PubChem CID 54888933) has the molecular formula C10H12BrN3O3S and a molecular weight of 334.20 g/mol. Its IUPAC name is 4-(2-amino-5-bromophenyl)sulfonylpiperazin-2-one.

Molecular Properties

Compound Name4-(2-amino-5-bromophenyl)sulfonylpiperazin-2-one
PubChem CID54888933
Molecular FormulaC10H12BrN3O3S
Molecular Weight334.20 g/mol
Exact Mass332.98
IUPAC Name4-(2-amino-5-bromophenyl)sulfonylpiperazin-2-one
SMILESNc1ccc(Br)cc1S(=O)(=O)N1CCNC(=O)C1
InChIInChI=1S/C10H12BrN3O3S/c11-7-1-2-8(12)9(5-7)18(16,17)14-4-3-13-10(15)6-14/h1-2,5H,3-4,6,12H2,(H,13,15)
InChIKeyIPEDXOSYPWNFMB-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-[(2-amino-5-bromo-3-pyridinyl)sulfonyl]piperazin-2-one
CID 62143361
4-(5-amino-2-bromophenyl)sulfonylpiperazin-2-one
CID 65202086
4-(4-amino-2-bromophenyl)sulfonylpiperazin-2-one
CID 43255788
4-(3-amino-2-bromo-5-chlorophenyl)sulfonylpiperazin-2-one
CID 55152526
4-bromo-2-(1,3-dihydroisoindol-2-ylsulfonyl)aniline
CID 62205542
4-bromo-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)aniline
CID 63014797
4-(4-aminophenyl)sulfonylpiperazin-2-one
CID 16783955
1-(2-amino-5-bromophenyl)sulfonyl-N,N-dimethylpiperidin-4-amine
CID 60986320
(3S)-1-(2-amino-5-bromophenyl)sulfonylpyrrolidin-3-ol
CID 107212123
4-(3-amino-4-bromo-5-chloro-2-fluorophenyl)sulfonylpiperazin-2-one
CID 103077171
4-bromo-2-(3,5-dimethylpiperidin-1-yl)sulfonylaniline
CID 54888558
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-4-bromoaniline
CID 60986322

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-5-bromophenyl)sulfonylpiperazin-2-one?
The IUPAC name of 4-(2-amino-5-bromophenyl)sulfonylpiperazin-2-one (CID 54888933) is 4-(2-amino-5-bromophenyl)sulfonylpiperazin-2-one.
What is the SMILES notation for 4-(2-amino-5-bromophenyl)sulfonylpiperazin-2-one?
The canonical SMILES for 4-(2-amino-5-bromophenyl)sulfonylpiperazin-2-one is Nc1ccc(Br)cc1S(=O)(=O)N1CCNC(=O)C1.
What is the InChIKey of 4-(2-amino-5-bromophenyl)sulfonylpiperazin-2-one?
The InChIKey is IPEDXOSYPWNFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3O3S/c11-7-1-2-8(12)9(5-7)18(16,17)14-4-3-13-10(15)6-14/h1-2,5H,3-4,6,12H2,(H,13,15).
What are the key properties of 4-(2-amino-5-bromophenyl)sulfonylpiperazin-2-one?
4-(2-amino-5-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-(2-amino-5-bromophenyl)sulfonylpiperazin-2-one is sourced from PubChem (CID 54888933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).