1-(4-nitrophenyl)sulfonylimidazole

C9H7N3O4S — CID 3563121

IUPAC1-(4-nitrophenyl)sulfonylimidazole
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)n2ccnc2)cc1
InChIInChI=1S/C9H7N3O4S/c13-12(14)8-1-3-9(4-2-8)17(15,16)11-6-5-10-7-11/h1-7H
InChIKeyDBLUTOHJSJINHD-UHFFFAOYSA-N
MW253.24 g/mol
LogP1.03
Rot. Bonds3

About 1-(4-nitrophenyl)sulfonylimidazole

1-(4-nitrophenyl)sulfonylimidazole (PubChem CID 3563121) has the molecular formula C9H7N3O4S and a molecular weight of 253.24 g/mol. Its IUPAC name is 1-(4-nitrophenyl)sulfonylimidazole.

Molecular Properties

Compound Name1-(4-nitrophenyl)sulfonylimidazole
PubChem CID3563121
Molecular FormulaC9H7N3O4S
Molecular Weight253.24 g/mol
Exact Mass253.02
IUPAC Name1-(4-nitrophenyl)sulfonylimidazole
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)n2ccnc2)cc1
InChIInChI=1S/C9H7N3O4S/c13-12(14)8-1-3-9(4-2-8)17(15,16)11-6-5-10-7-11/h1-7H
InChIKeyDBLUTOHJSJINHD-UHFFFAOYSA-N
XLogP1.03
TPSA95.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.24
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-(4-nitrophenyl)sulfonylpyrazole
CID 737698
1-(4-nitrophenyl)sulfonylimidazol-2-amine
CID 97349476
4-nitropyridine;hydrate
CID 132647818
N-(4-nitrophenyl)imidazole-1-carboxamide
CID 14907723
N-[4-(4-nitrophenyl)sulfonylphenyl]pyridin-4-amine
CID 137376791
N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-4-nitrobenzenesulfonamide
CID 40663817
4-amino-1-(4-nitrophenyl)sulfonylpyrimidin-2-one
CID 68730723
5-(imidazol-1-ylmethyl)-3-(4-nitrophenyl)-1H-1,2,4-triazole
CID 46398110
4-[1-(benzenesulfonyl)pyrrol-3-yl]-1-methyl-3-(4-nitrophenyl)pyrazole
CID 141182259
cesium 4-nitrobenzenesulfonate
CID 101283504
4-nitrobenzenesulfonic acid
CID 160847002
(4-nitrophenyl)sulfonylchloranium
CID 23587686

Frequently Asked Questions

What is the IUPAC name of 1-(4-nitrophenyl)sulfonylimidazole?
The IUPAC name of 1-(4-nitrophenyl)sulfonylimidazole (CID 3563121) is 1-(4-nitrophenyl)sulfonylimidazole.
What is the SMILES notation for 1-(4-nitrophenyl)sulfonylimidazole?
The canonical SMILES for 1-(4-nitrophenyl)sulfonylimidazole is O=[N+]([O-])c1ccc(S(=O)(=O)n2ccnc2)cc1.
What is the InChIKey of 1-(4-nitrophenyl)sulfonylimidazole?
The InChIKey is DBLUTOHJSJINHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O4S/c13-12(14)8-1-3-9(4-2-8)17(15,16)11-6-5-10-7-11/h1-7H.
What are the key properties of 1-(4-nitrophenyl)sulfonylimidazole?
1-(4-nitrophenyl)sulfonylimidazole has a molecular weight of 253.24 g/mol, XLogP of 1.03, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-nitrophenyl)sulfonylimidazole is sourced from PubChem (CID 3563121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).