2-methyl-4-nitro-1-(4-nitrophenyl)sulfonylimidazole

C10H8N4O6S — CID 42644918

IUPAC2-methyl-4-nitro-1-(4-nitrophenyl)sulfonylimidazole
SMILESCc1nc([N+](=O)[O-])cn1S(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C10H8N4O6S/c1-7-11-10(14(17)18)6-12(7)21(19,20)9-4-2-8(3-5-9)13(15)16/h2-6H,1H3
InChIKeyCEQCASDRWYGBNY-UHFFFAOYSA-N
MW312.26 g/mol
LogP1.24
Rot. Bonds4

About 2-methyl-4-nitro-1-(4-nitrophenyl)sulfonylimidazole

2-methyl-4-nitro-1-(4-nitrophenyl)sulfonylimidazole (PubChem CID 42644918) has the molecular formula C10H8N4O6S and a molecular weight of 312.26 g/mol. Its IUPAC name is 2-methyl-4-nitro-1-(4-nitrophenyl)sulfonylimidazole.

Molecular Properties

Compound Name2-methyl-4-nitro-1-(4-nitrophenyl)sulfonylimidazole
PubChem CID42644918
Molecular FormulaC10H8N4O6S
Molecular Weight312.26 g/mol
Exact Mass312.02
IUPAC Name2-methyl-4-nitro-1-(4-nitrophenyl)sulfonylimidazole
SMILESCc1nc([N+](=O)[O-])cn1S(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C10H8N4O6S/c1-7-11-10(14(17)18)6-12(7)21(19,20)9-4-2-8(3-5-9)13(15)16/h2-6H,1H3
InChIKeyCEQCASDRWYGBNY-UHFFFAOYSA-N
XLogP1.24
TPSA138.24 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.26
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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-(3,4-dimethylphenyl)sulfonyl-2-methyl-4-nitroimidazole
CID 762295
4-amino-1-(4-nitrophenyl)sulfonylpyrimidin-2-one
CID 68730723
1-(4-nitrophenyl)sulfonylimidazol-2-amine
CID 97349476
1-(benzenesulfonyl)-5-(4-nitrophenyl)pyrrolo[3,2-b]pyridine
CID 102164328
1-(4-nitrophenyl)sulfonylpyrazole
CID 737698
2-methyl-1-[(1S,4R)-4-(2-methyl-4-nitroimidazol-1-yl)cyclopent-2-en-1-yl]-4-nitroimidazole
CID 10781787
1-(4-nitrophenyl)sulfonylimidazole
CID 3563121
4-nitro-N-(2,3,4,5,6-pentamethylphenyl)benzenesulfonamide
CID 101434436
1-tert-butylsulfonyl-4-methylbenzene;1-tert-butylsulfonyl-4-nitrobenzene
CID 159921460
1,3-dimethyl-2-(4-nitrophenyl)sulfonylbenzene
CID 86200243
(2S)-2-methyl-1-(4-nitrophenyl)sulfonylpiperidine
CID 779289
2-methyl-4-(4-methylpiperazin-1-yl)-6-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]pyrimidine
CID 46268139

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-nitro-1-(4-nitrophenyl)sulfonylimidazole?
The IUPAC name of 2-methyl-4-nitro-1-(4-nitrophenyl)sulfonylimidazole (CID 42644918) is 2-methyl-4-nitro-1-(4-nitrophenyl)sulfonylimidazole.
What is the SMILES notation for 2-methyl-4-nitro-1-(4-nitrophenyl)sulfonylimidazole?
The canonical SMILES for 2-methyl-4-nitro-1-(4-nitrophenyl)sulfonylimidazole is Cc1nc([N+](=O)[O-])cn1S(=O)(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-methyl-4-nitro-1-(4-nitrophenyl)sulfonylimidazole?
The InChIKey is CEQCASDRWYGBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O6S/c1-7-11-10(14(17)18)6-12(7)21(19,20)9-4-2-8(3-5-9)13(15)16/h2-6H,1H3.
What are the key properties of 2-methyl-4-nitro-1-(4-nitrophenyl)sulfonylimidazole?
2-methyl-4-nitro-1-(4-nitrophenyl)sulfonylimidazole has a molecular weight of 312.26 g/mol, XLogP of 1.24, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-nitro-1-(4-nitrophenyl)sulfonylimidazole is sourced from PubChem (CID 42644918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).