1-(4-nitrophenyl)sulfonylimidazol-2-amine

C9H8N4O4S — CID 97349476

IUPAC1-(4-nitrophenyl)sulfonylimidazol-2-amine
SMILESNc1nccn1S(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C9H8N4O4S/c10-9-11-5-6-12(9)18(16,17)8-3-1-7(2-4-8)13(14)15/h1-6H,(H2,10,11)
InChIKeyOAZACOWGKCAIBX-UHFFFAOYSA-N
MW268.25 g/mol
LogP0.61
Rot. Bonds3

About 1-(4-nitrophenyl)sulfonylimidazol-2-amine

1-(4-nitrophenyl)sulfonylimidazol-2-amine (PubChem CID 97349476) has the molecular formula C9H8N4O4S and a molecular weight of 268.25 g/mol. Its IUPAC name is 1-(4-nitrophenyl)sulfonylimidazol-2-amine.

Molecular Properties

Compound Name1-(4-nitrophenyl)sulfonylimidazol-2-amine
PubChem CID97349476
Molecular FormulaC9H8N4O4S
Molecular Weight268.25 g/mol
Exact Mass268.03
IUPAC Name1-(4-nitrophenyl)sulfonylimidazol-2-amine
SMILESNc1nccn1S(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C9H8N4O4S/c10-9-11-5-6-12(9)18(16,17)8-3-1-7(2-4-8)13(14)15/h1-6H,(H2,10,11)
InChIKeyOAZACOWGKCAIBX-UHFFFAOYSA-N
XLogP0.61
TPSA121.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.25
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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
4-amino-1-(4-nitrophenyl)sulfonylpyrimidin-2-one
CID 68730723
1-(4-nitrophenyl)sulfonylimidazole
CID 3563121
2-methyl-4-nitro-1-(4-nitrophenyl)sulfonylimidazole
CID 42644918
1-(benzenesulfonyl)-5-(4-nitrophenyl)pyrrolo[3,2-b]pyridine
CID 102164328
2-(4-methylphenyl)-1-(4-methylphenyl)sulfonylimidazole
CID 110537991
1-(4-nitrophenyl)pyrimidin-2-one
CID 59260079
(1S,5R)-3-(4-nitrophenyl)sulfonyl-3-azabicyclo[3.1.0]hexan-6-amine
CID 99779560
4-nitrobenzenesulfonic acid
CID 160847002
cesium 4-nitrobenzenesulfonate
CID 101283504
(4-nitrophenyl)sulfonylchloranium
CID 23587686
3-amino-1-(4-nitrophenyl)sulfonylazetidin-2-one
CID 175772702

Frequently Asked Questions

What is the IUPAC name of 1-(4-nitrophenyl)sulfonylimidazol-2-amine?
The IUPAC name of 1-(4-nitrophenyl)sulfonylimidazol-2-amine (CID 97349476) is 1-(4-nitrophenyl)sulfonylimidazol-2-amine.
What is the SMILES notation for 1-(4-nitrophenyl)sulfonylimidazol-2-amine?
The canonical SMILES for 1-(4-nitrophenyl)sulfonylimidazol-2-amine is Nc1nccn1S(=O)(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 1-(4-nitrophenyl)sulfonylimidazol-2-amine?
The InChIKey is OAZACOWGKCAIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O4S/c10-9-11-5-6-12(9)18(16,17)8-3-1-7(2-4-8)13(14)15/h1-6H,(H2,10,11).
What are the key properties of 1-(4-nitrophenyl)sulfonylimidazol-2-amine?
1-(4-nitrophenyl)sulfonylimidazol-2-amine has a molecular weight of 268.25 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-nitrophenyl)sulfonylimidazol-2-amine is sourced from PubChem (CID 97349476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).