4-(3-amino-2-bromo-5-chlorophenyl)sulfonylpiperazin-2-one

C10H11BrClN3O3S — CID 55152526

IUPAC4-(3-amino-2-bromo-5-chlorophenyl)sulfonylpiperazin-2-one
SMILESNc1cc(Cl)cc(S(=O)(=O)N2CCNC(=O)C2)c1Br
InChIInChI=1S/C10H11BrClN3O3S/c11-10-7(13)3-6(12)4-8(10)19(17,18)15-2-1-14-9(16)5-15/h3-4H,1-2,5,13H2,(H,14,16)
InChIKeyROZGOLTUCWCKJQ-UHFFFAOYSA-N
MW368.64 g/mol
LogP0.81
Rot. Bonds2

About 4-(3-amino-2-bromo-5-chlorophenyl)sulfonylpiperazin-2-one

4-(3-amino-2-bromo-5-chlorophenyl)sulfonylpiperazin-2-one (PubChem CID 55152526) has the molecular formula C10H11BrClN3O3S and a molecular weight of 368.64 g/mol. Its IUPAC name is 4-(3-amino-2-bromo-5-chlorophenyl)sulfonylpiperazin-2-one.

Molecular Properties

Compound Name4-(3-amino-2-bromo-5-chlorophenyl)sulfonylpiperazin-2-one
PubChem CID55152526
Molecular FormulaC10H11BrClN3O3S
Molecular Weight368.64 g/mol
Exact Mass366.94
IUPAC Name4-(3-amino-2-bromo-5-chlorophenyl)sulfonylpiperazin-2-one
SMILESNc1cc(Cl)cc(S(=O)(=O)N2CCNC(=O)C2)c1Br
InChIInChI=1S/C10H11BrClN3O3S/c11-10-7(13)3-6(12)4-8(10)19(17,18)15-2-1-14-9(16)5-15/h3-4H,1-2,5,13H2,(H,14,16)
InChIKeyROZGOLTUCWCKJQ-UHFFFAOYSA-N
XLogP0.81
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.64
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-2-bromo-5-chlorophenyl)sulfonylpiperazin-2-one?
The IUPAC name of 4-(3-amino-2-bromo-5-chlorophenyl)sulfonylpiperazin-2-one (CID 55152526) is 4-(3-amino-2-bromo-5-chlorophenyl)sulfonylpiperazin-2-one.
What is the SMILES notation for 4-(3-amino-2-bromo-5-chlorophenyl)sulfonylpiperazin-2-one?
The canonical SMILES for 4-(3-amino-2-bromo-5-chlorophenyl)sulfonylpiperazin-2-one is Nc1cc(Cl)cc(S(=O)(=O)N2CCNC(=O)C2)c1Br.
What is the InChIKey of 4-(3-amino-2-bromo-5-chlorophenyl)sulfonylpiperazin-2-one?
The InChIKey is ROZGOLTUCWCKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClN3O3S/c11-10-7(13)3-6(12)4-8(10)19(17,18)15-2-1-14-9(16)5-15/h3-4H,1-2,5,13H2,(H,14,16).
What are the key properties of 4-(3-amino-2-bromo-5-chlorophenyl)sulfonylpiperazin-2-one?
4-(3-amino-2-bromo-5-chlorophenyl)sulfonylpiperazin-2-one has a molecular weight of 368.64 g/mol, XLogP of 0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-2-bromo-5-chlorophenyl)sulfonylpiperazin-2-one is sourced from PubChem (CID 55152526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).