1-(4-fluoro-2,6-dimethyl-3-nitrophenyl)sulfonylimidazolidin-2-one

C11H12FN3O5S — CID 107326949

IUPAC1-(4-fluoro-2,6-dimethyl-3-nitrophenyl)sulfonylimidazolidin-2-one
SMILESCc1cc(F)c([N+](=O)[O-])c(C)c1S(=O)(=O)N1CCNC1=O
InChIInChI=1S/C11H12FN3O5S/c1-6-5-8(12)9(15(17)18)7(2)10(6)21(19,20)14-4-3-13-11(14)16/h5H,3-4H2,1-2H3,(H,13,16)
InChIKeyQMGOAVCUPQBIRZ-UHFFFAOYSA-N
MW317.30 g/mol
LogP1.06
Rot. Bonds3

About 1-(4-fluoro-2,6-dimethyl-3-nitrophenyl)sulfonylimidazolidin-2-one

1-(4-fluoro-2,6-dimethyl-3-nitrophenyl)sulfonylimidazolidin-2-one (PubChem CID 107326949) has the molecular formula C11H12FN3O5S and a molecular weight of 317.30 g/mol. Its IUPAC name is 1-(4-fluoro-2,6-dimethyl-3-nitrophenyl)sulfonylimidazolidin-2-one.

Molecular Properties

Compound Name1-(4-fluoro-2,6-dimethyl-3-nitrophenyl)sulfonylimidazolidin-2-one
PubChem CID107326949
Molecular FormulaC11H12FN3O5S
Molecular Weight317.30 g/mol
Exact Mass317.05
IUPAC Name1-(4-fluoro-2,6-dimethyl-3-nitrophenyl)sulfonylimidazolidin-2-one
SMILESCc1cc(F)c([N+](=O)[O-])c(C)c1S(=O)(=O)N1CCNC1=O
InChIInChI=1S/C11H12FN3O5S/c1-6-5-8(12)9(15(17)18)7(2)10(6)21(19,20)14-4-3-13-11(14)16/h5H,3-4H2,1-2H3,(H,13,16)
InChIKeyQMGOAVCUPQBIRZ-UHFFFAOYSA-N
XLogP1.06
TPSA109.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 51.06
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

N-ethyl-2-[(4-fluoro-2-methyl-5-nitrophenyl)sulfonylamino]acetamide
CID 80162010
N-[2-[(4-fluoro-2-methyl-5-nitrophenyl)sulfonylamino]ethyl]acetamide
CID 80162366
2-[(4-fluoro-2-methyl-5-nitrophenyl)sulfonylamino]-N-methylacetamide
CID 80166807
1-(4-Fluoro-2-methyl-5-nitrophenyl)sulfonylimidazolidin-2-one
CID 80167449
2-[(4-Fluoro-2-methyl-5-nitrophenyl)sulfonylamino]ethylurea
CID 83112465
4-fluoro-2,6-dimethyl-N-(3-methylbut-2-enyl)-3-nitrobenzenesulfonamide
CID 106186652
2-[(3-Amino-4-fluoro-2,6-dimethylphenyl)sulfonylamino]ethylurea
CID 107326067
1-(3-Amino-4-fluoro-2,6-dimethylphenyl)sulfonyl-3-butylurea
CID 107326246
1-(3-Amino-4-fluoro-2,6-dimethylphenyl)sulfonyl-3-propylurea
CID 107326247
1-(3-Amino-4-fluoro-2,6-dimethylphenyl)sulfonyl-3-ethylurea
CID 107326248
1-(3-Amino-4-fluoro-2,6-dimethylphenyl)sulfonyl-3-methylurea
CID 107326249
1-(3-Amino-4-fluoro-2,6-dimethylphenyl)sulfonyl-3-propan-2-ylurea
CID 107326251

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2,6-dimethyl-3-nitrophenyl)sulfonylimidazolidin-2-one?
The IUPAC name of 1-(4-fluoro-2,6-dimethyl-3-nitrophenyl)sulfonylimidazolidin-2-one (CID 107326949) is 1-(4-fluoro-2,6-dimethyl-3-nitrophenyl)sulfonylimidazolidin-2-one.
What is the SMILES notation for 1-(4-fluoro-2,6-dimethyl-3-nitrophenyl)sulfonylimidazolidin-2-one?
The canonical SMILES for 1-(4-fluoro-2,6-dimethyl-3-nitrophenyl)sulfonylimidazolidin-2-one is Cc1cc(F)c([N+](=O)[O-])c(C)c1S(=O)(=O)N1CCNC1=O.
What is the InChIKey of 1-(4-fluoro-2,6-dimethyl-3-nitrophenyl)sulfonylimidazolidin-2-one?
The InChIKey is QMGOAVCUPQBIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O5S/c1-6-5-8(12)9(15(17)18)7(2)10(6)21(19,20)14-4-3-13-11(14)16/h5H,3-4H2,1-2H3,(H,13,16).
What are the key properties of 1-(4-fluoro-2,6-dimethyl-3-nitrophenyl)sulfonylimidazolidin-2-one?
1-(4-fluoro-2,6-dimethyl-3-nitrophenyl)sulfonylimidazolidin-2-one has a molecular weight of 317.30 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2,6-dimethyl-3-nitrophenyl)sulfonylimidazolidin-2-one is sourced from PubChem (CID 107326949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).