4-(3-fluoro-2-nitrophenyl)sulfonylpiperazin-2-one

C10H10FN3O5S — CID 47261545

IUPAC4-(3-fluoro-2-nitrophenyl)sulfonylpiperazin-2-one
SMILESO=C1CN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CCN1
InChIInChI=1S/C10H10FN3O5S/c11-7-2-1-3-8(10(7)14(16)17)20(18,19)13-5-4-12-9(15)6-13/h1-3H,4-6H2,(H,12,15)
InChIKeyZENKVRAUEQUVSY-UHFFFAOYSA-N
MW303.27 g/mol
LogP-0.15
Rot. Bonds3

About 4-(3-fluoro-2-nitrophenyl)sulfonylpiperazin-2-one

4-(3-fluoro-2-nitrophenyl)sulfonylpiperazin-2-one (PubChem CID 47261545) has the molecular formula C10H10FN3O5S and a molecular weight of 303.27 g/mol. Its IUPAC name is 4-(3-fluoro-2-nitrophenyl)sulfonylpiperazin-2-one.

Molecular Properties

Compound Name4-(3-fluoro-2-nitrophenyl)sulfonylpiperazin-2-one
PubChem CID47261545
Molecular FormulaC10H10FN3O5S
Molecular Weight303.27 g/mol
Exact Mass303.03
IUPAC Name4-(3-fluoro-2-nitrophenyl)sulfonylpiperazin-2-one
SMILESO=C1CN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CCN1
InChIInChI=1S/C10H10FN3O5S/c11-7-2-1-3-8(10(7)14(16)17)20(18,19)13-5-4-12-9(15)6-13/h1-3H,4-6H2,(H,12,15)
InChIKeyZENKVRAUEQUVSY-UHFFFAOYSA-N
XLogP-0.15
TPSA109.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.27
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(3-amino-2-nitrophenyl)sulfonylpiperazin-2-one
CID 115993327
1-(3-fluoro-2-nitrophenyl)sulfonylpyrrolidine
CID 47261344
4-(3-fluoro-2-nitrophenyl)sulfonylthiomorpholine
CID 47331572
1-(3-fluoro-2-nitrophenyl)sulfonylpiperidine-4-carbaldehyde
CID 115993800
4-(2-methyl-4-nitrophenyl)sulfonylpiperazin-2-one
CID 37496718
1-(3-fluoro-2-nitrophenyl)sulfonyl-3-propan-2-ylazetidin-3-ol
CID 115993146
(3aS,6aS)-1-(3-fluoro-2-nitrophenyl)sulfonyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole
CID 103956192
1-[1-(3-fluoro-2-nitrophenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine
CID 115752373
1-(2,6-difluorophenyl)sulfonyl-1,4-diazepan-5-one
CID 60703321
1-[1-(3-fluoro-2-nitrophenyl)sulfonylpyrrolidin-3-yl]ethanamine;hydrochloride
CID 120583021
4-[(3-nitrophenyl)methylsulfonyl]piperazin-2-one
CID 53417712
1-(3-fluoro-2-nitrophenyl)sulfonyl-2-methylpyrrolidine
CID 112695664

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-2-nitrophenyl)sulfonylpiperazin-2-one?
The IUPAC name of 4-(3-fluoro-2-nitrophenyl)sulfonylpiperazin-2-one (CID 47261545) is 4-(3-fluoro-2-nitrophenyl)sulfonylpiperazin-2-one.
What is the SMILES notation for 4-(3-fluoro-2-nitrophenyl)sulfonylpiperazin-2-one?
The canonical SMILES for 4-(3-fluoro-2-nitrophenyl)sulfonylpiperazin-2-one is O=C1CN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CCN1.
What is the InChIKey of 4-(3-fluoro-2-nitrophenyl)sulfonylpiperazin-2-one?
The InChIKey is ZENKVRAUEQUVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O5S/c11-7-2-1-3-8(10(7)14(16)17)20(18,19)13-5-4-12-9(15)6-13/h1-3H,4-6H2,(H,12,15).
What are the key properties of 4-(3-fluoro-2-nitrophenyl)sulfonylpiperazin-2-one?
4-(3-fluoro-2-nitrophenyl)sulfonylpiperazin-2-one has a molecular weight of 303.27 g/mol, XLogP of -0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-2-nitrophenyl)sulfonylpiperazin-2-one is sourced from PubChem (CID 47261545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).