1-methyl-5-(4-nitrosophenyl)sulfonylimidazole

C10H9N3O3S — CID 88859615

IUPAC1-methyl-5-(4-nitrosophenyl)sulfonylimidazole
SMILESCn1cncc1S(=O)(=O)c1ccc(N=O)cc1
InChIInChI=1S/C10H9N3O3S/c1-13-7-11-6-10(13)17(15,16)9-4-2-8(12-14)3-5-9/h2-7H,1H3
InChIKeyAAWWTAHCBIRRHT-UHFFFAOYSA-N
MW251.27 g/mol
LogP1.65
Rot. Bonds3

About 1-methyl-5-(4-nitrosophenyl)sulfonylimidazole

1-methyl-5-(4-nitrosophenyl)sulfonylimidazole (PubChem CID 88859615) has the molecular formula C10H9N3O3S and a molecular weight of 251.27 g/mol. Its IUPAC name is 1-methyl-5-(4-nitrosophenyl)sulfonylimidazole.

Molecular Properties

Compound Name1-methyl-5-(4-nitrosophenyl)sulfonylimidazole
PubChem CID88859615
Molecular FormulaC10H9N3O3S
Molecular Weight251.27 g/mol
Exact Mass251.04
IUPAC Name1-methyl-5-(4-nitrosophenyl)sulfonylimidazole
SMILESCn1cncc1S(=O)(=O)c1ccc(N=O)cc1
InChIInChI=1S/C10H9N3O3S/c1-13-7-11-6-10(13)17(15,16)9-4-2-8(12-14)3-5-9/h2-7H,1H3
InChIKeyAAWWTAHCBIRRHT-UHFFFAOYSA-N
XLogP1.65
TPSA81.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.27
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-methyl-5-(4-nitrosophenyl)sulfonylimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(4-nitrosophenyl)sulfonylimidazole?
The IUPAC name of 1-methyl-5-(4-nitrosophenyl)sulfonylimidazole (CID 88859615) is 1-methyl-5-(4-nitrosophenyl)sulfonylimidazole.
What is the SMILES notation for 1-methyl-5-(4-nitrosophenyl)sulfonylimidazole?
The canonical SMILES for 1-methyl-5-(4-nitrosophenyl)sulfonylimidazole is Cn1cncc1S(=O)(=O)c1ccc(N=O)cc1.
What is the InChIKey of 1-methyl-5-(4-nitrosophenyl)sulfonylimidazole?
The InChIKey is AAWWTAHCBIRRHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O3S/c1-13-7-11-6-10(13)17(15,16)9-4-2-8(12-14)3-5-9/h2-7H,1H3.
What are the key properties of 1-methyl-5-(4-nitrosophenyl)sulfonylimidazole?
1-methyl-5-(4-nitrosophenyl)sulfonylimidazole has a molecular weight of 251.27 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(4-nitrosophenyl)sulfonylimidazole is sourced from PubChem (CID 88859615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).