1-(3-fluoro-4-nitrophenyl)sulfonylimidazolidin-2-one

C9H8FN3O5S — CID 82844512

IUPAC1-(3-fluoro-4-nitrophenyl)sulfonylimidazolidin-2-one
SMILESO=C1NCCN1S(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1
InChIInChI=1S/C9H8FN3O5S/c10-7-5-6(1-2-8(7)13(15)16)19(17,18)12-4-3-11-9(12)14/h1-2,5H,3-4H2,(H,11,14)
InChIKeyWGGIVAGKJVONAZ-UHFFFAOYSA-N
MW289.24 g/mol
LogP0.45
Rot. Bonds3

About 1-(3-fluoro-4-nitrophenyl)sulfonylimidazolidin-2-one

1-(3-fluoro-4-nitrophenyl)sulfonylimidazolidin-2-one (PubChem CID 82844512) has the molecular formula C9H8FN3O5S and a molecular weight of 289.24 g/mol. Its IUPAC name is 1-(3-fluoro-4-nitrophenyl)sulfonylimidazolidin-2-one.

Molecular Properties

Compound Name1-(3-fluoro-4-nitrophenyl)sulfonylimidazolidin-2-one
PubChem CID82844512
Molecular FormulaC9H8FN3O5S
Molecular Weight289.24 g/mol
Exact Mass289.02
IUPAC Name1-(3-fluoro-4-nitrophenyl)sulfonylimidazolidin-2-one
SMILESO=C1NCCN1S(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1
InChIInChI=1S/C9H8FN3O5S/c10-7-5-6(1-2-8(7)13(15)16)19(17,18)12-4-3-11-9(12)14/h1-2,5H,3-4H2,(H,11,14)
InChIKeyWGGIVAGKJVONAZ-UHFFFAOYSA-N
XLogP0.45
TPSA109.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.24
LogP ≤ 50.45
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

1-(3-fluoro-4-nitrophenyl)sulfonyl-4,4-dimethylpiperidine
CID 82847121
1-(3-fluoro-4-nitrophenyl)sulfonylpiperidin-4-amine
CID 82855183
1-(4-fluoro-2,6-dimethyl-3-nitrophenyl)sulfonylimidazolidin-2-one
CID 107326949
4-(3-fluoro-4-nitrophenyl)sulfonyl-1-methylpiperazin-2-one
CID 82847301
1-(3-fluoro-4-nitrophenyl)sulfonyl-2,6-dimethylpiperazine
CID 82844867
1-(4-fluoro-3-nitrophenyl)sulfonyl-1,4-diazepan-5-one
CID 60709339
(3R)-1-(3-fluoro-4-nitrophenyl)sulfonylpyrrolidin-3-ol
CID 82854595
1-(3-fluoro-4-nitrophenyl)sulfonyl-4-methyl-3,6-dihydro-2H-pyridine
CID 114408746
1-(3-fluoro-4-nitrophenyl)sulfonylpyrrolidine-2-carbonitrile
CID 82854286
1-[4-(bromomethyl)phenyl]sulfonylimidazolidin-2-one
CID 65480411
1-(3-fluoro-4-nitrophenyl)sulfonyl-2,6-dimethylpiperidine
CID 82846610
1-(3-fluoro-4-nitrophenyl)sulfonyl-3-methylpiperidine
CID 82840446

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-nitrophenyl)sulfonylimidazolidin-2-one?
The IUPAC name of 1-(3-fluoro-4-nitrophenyl)sulfonylimidazolidin-2-one (CID 82844512) is 1-(3-fluoro-4-nitrophenyl)sulfonylimidazolidin-2-one.
What is the SMILES notation for 1-(3-fluoro-4-nitrophenyl)sulfonylimidazolidin-2-one?
The canonical SMILES for 1-(3-fluoro-4-nitrophenyl)sulfonylimidazolidin-2-one is O=C1NCCN1S(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1.
What is the InChIKey of 1-(3-fluoro-4-nitrophenyl)sulfonylimidazolidin-2-one?
The InChIKey is WGGIVAGKJVONAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN3O5S/c10-7-5-6(1-2-8(7)13(15)16)19(17,18)12-4-3-11-9(12)14/h1-2,5H,3-4H2,(H,11,14).
What are the key properties of 1-(3-fluoro-4-nitrophenyl)sulfonylimidazolidin-2-one?
1-(3-fluoro-4-nitrophenyl)sulfonylimidazolidin-2-one has a molecular weight of 289.24 g/mol, XLogP of 0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-nitrophenyl)sulfonylimidazolidin-2-one is sourced from PubChem (CID 82844512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).