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

C10H12FN3O3S — CID 43255388

IUPAC4-(5-amino-2-fluorophenyl)sulfonylpiperazin-2-one
SMILESNc1ccc(F)c(S(=O)(=O)N2CCNC(=O)C2)c1
InChIInChI=1S/C10H12FN3O3S/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)
InChIKeyWOHSBVXAMUYPNE-UHFFFAOYSA-N
MW273.29 g/mol
LogP-0.47
Rot. Bonds2

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

4-(5-amino-2-fluorophenyl)sulfonylpiperazin-2-one (PubChem CID 43255388) has the molecular formula C10H12FN3O3S and a molecular weight of 273.29 g/mol. Its IUPAC name is 4-(5-amino-2-fluorophenyl)sulfonylpiperazin-2-one.

Molecular Properties

Compound Name4-(5-amino-2-fluorophenyl)sulfonylpiperazin-2-one
PubChem CID43255388
Molecular FormulaC10H12FN3O3S
Molecular Weight273.29 g/mol
Exact Mass273.06
IUPAC Name4-(5-amino-2-fluorophenyl)sulfonylpiperazin-2-one
SMILESNc1ccc(F)c(S(=O)(=O)N2CCNC(=O)C2)c1
InChIInChI=1S/C10H12FN3O3S/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)
InChIKeyWOHSBVXAMUYPNE-UHFFFAOYSA-N
XLogP-0.47
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 5-0.47
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-2-fluorophenyl)sulfonylpiperazin-2-one?
The IUPAC name of 4-(5-amino-2-fluorophenyl)sulfonylpiperazin-2-one (CID 43255388) is 4-(5-amino-2-fluorophenyl)sulfonylpiperazin-2-one.
What is the SMILES notation for 4-(5-amino-2-fluorophenyl)sulfonylpiperazin-2-one?
The canonical SMILES for 4-(5-amino-2-fluorophenyl)sulfonylpiperazin-2-one is Nc1ccc(F)c(S(=O)(=O)N2CCNC(=O)C2)c1.
What is the InChIKey of 4-(5-amino-2-fluorophenyl)sulfonylpiperazin-2-one?
The InChIKey is WOHSBVXAMUYPNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3O3S/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-fluorophenyl)sulfonylpiperazin-2-one?
4-(5-amino-2-fluorophenyl)sulfonylpiperazin-2-one has a molecular weight of 273.29 g/mol, XLogP of -0.47, 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-fluorophenyl)sulfonylpiperazin-2-one is sourced from PubChem (CID 43255388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).