4-(5-amino-3-chloro-2-fluorophenyl)sulfonylpiperazin-2-one

C10H11ClFN3O3S — CID 43257199

IUPAC4-(5-amino-3-chloro-2-fluorophenyl)sulfonylpiperazin-2-one
SMILESNc1cc(Cl)c(F)c(S(=O)(=O)N2CCNC(=O)C2)c1
InChIInChI=1S/C10H11ClFN3O3S/c11-7-3-6(13)4-8(10(7)12)19(17,18)15-2-1-14-9(16)5-15/h3-4H,1-2,5,13H2,(H,14,16)
InChIKeyJUAXDIQNZICYQS-UHFFFAOYSA-N
MW307.73 g/mol
LogP0.18
Rot. Bonds2

About 4-(5-amino-3-chloro-2-fluorophenyl)sulfonylpiperazin-2-one

4-(5-amino-3-chloro-2-fluorophenyl)sulfonylpiperazin-2-one (PubChem CID 43257199) has the molecular formula C10H11ClFN3O3S and a molecular weight of 307.73 g/mol. Its IUPAC name is 4-(5-amino-3-chloro-2-fluorophenyl)sulfonylpiperazin-2-one.

Molecular Properties

Compound Name4-(5-amino-3-chloro-2-fluorophenyl)sulfonylpiperazin-2-one
PubChem CID43257199
Molecular FormulaC10H11ClFN3O3S
Molecular Weight307.73 g/mol
Exact Mass307.02
IUPAC Name4-(5-amino-3-chloro-2-fluorophenyl)sulfonylpiperazin-2-one
SMILESNc1cc(Cl)c(F)c(S(=O)(=O)N2CCNC(=O)C2)c1
InChIInChI=1S/C10H11ClFN3O3S/c11-7-3-6(13)4-8(10(7)12)19(17,18)15-2-1-14-9(16)5-15/h3-4H,1-2,5,13H2,(H,14,16)
InChIKeyJUAXDIQNZICYQS-UHFFFAOYSA-N
XLogP0.18
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.73
LogP ≤ 50.18
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-(5-amino-3-chloro-2-fluorophenyl)sulfonylpiperazin-2-one?
The IUPAC name of 4-(5-amino-3-chloro-2-fluorophenyl)sulfonylpiperazin-2-one (CID 43257199) is 4-(5-amino-3-chloro-2-fluorophenyl)sulfonylpiperazin-2-one.
What is the SMILES notation for 4-(5-amino-3-chloro-2-fluorophenyl)sulfonylpiperazin-2-one?
The canonical SMILES for 4-(5-amino-3-chloro-2-fluorophenyl)sulfonylpiperazin-2-one is Nc1cc(Cl)c(F)c(S(=O)(=O)N2CCNC(=O)C2)c1.
What is the InChIKey of 4-(5-amino-3-chloro-2-fluorophenyl)sulfonylpiperazin-2-one?
The InChIKey is JUAXDIQNZICYQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFN3O3S/c11-7-3-6(13)4-8(10(7)12)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-(5-amino-3-chloro-2-fluorophenyl)sulfonylpiperazin-2-one?
4-(5-amino-3-chloro-2-fluorophenyl)sulfonylpiperazin-2-one has a molecular weight of 307.73 g/mol, XLogP of 0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-3-chloro-2-fluorophenyl)sulfonylpiperazin-2-one is sourced from PubChem (CID 43257199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).