2-methyl-1-(2-methyl-5-nitrophenyl)sulfonylimidazole

C11H11N3O4S — CID 740948

IUPAC2-methyl-1-(2-methyl-5-nitrophenyl)sulfonylimidazole
SMILESCc1ccc([N+](=O)[O-])cc1S(=O)(=O)n1ccnc1C
InChIInChI=1S/C11H11N3O4S/c1-8-3-4-10(14(15)16)7-11(8)19(17,18)13-6-5-12-9(13)2/h3-7H,1-2H3
InChIKeyNEMMTQNKZIVLMU-UHFFFAOYSA-N
MW281.29 g/mol
LogP1.65
Rot. Bonds3

About 2-methyl-1-(2-methyl-5-nitrophenyl)sulfonylimidazole

2-methyl-1-(2-methyl-5-nitrophenyl)sulfonylimidazole (PubChem CID 740948) has the molecular formula C11H11N3O4S and a molecular weight of 281.29 g/mol. Its IUPAC name is 2-methyl-1-(2-methyl-5-nitrophenyl)sulfonylimidazole.

Molecular Properties

Compound Name2-methyl-1-(2-methyl-5-nitrophenyl)sulfonylimidazole
PubChem CID740948
Molecular FormulaC11H11N3O4S
Molecular Weight281.29 g/mol
Exact Mass281.05
IUPAC Name2-methyl-1-(2-methyl-5-nitrophenyl)sulfonylimidazole
SMILESCc1ccc([N+](=O)[O-])cc1S(=O)(=O)n1ccnc1C
InChIInChI=1S/C11H11N3O4S/c1-8-3-4-10(14(15)16)7-11(8)19(17,18)13-6-5-12-9(13)2/h3-7H,1-2H3
InChIKeyNEMMTQNKZIVLMU-UHFFFAOYSA-N
XLogP1.65
TPSA95.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 51.65
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

N-[3-(1H-imidazol-1-yl)propyl]-3-nitrobenzenesulfonamide
CID 2952423
1-(4-Nitro-2-phenylsulfanylbenzyl)-1H-imidazole
CID 46867547
2-Ethyl-1-(2-nitro-benzenesulfonyl)-1H-imidazole
CID 699058
2-Ethyl-1-(3-nitro-benzenesulfonyl)-1H-imidazole
CID 839472
N-[1-(4-imidazol-1-ylphenyl)ethylideneamino]-3-nitrobenzenesulfonamide
CID 4412588
2-Methyl-1-(4-methylphenyl)sulfonyl-4-nitroimidazole
CID 15669693
1-(2-Chloro-5-nitro-benzenesulfonyl)-2-methyl-1H-imidazole
CID 775762
1-[(2-Ethyl-4-methylimidazolyl)sulfonyl]-4-nitrobenzene
CID 775475
2-Isopropyl-1-(3-nitro-benzenesulfonyl)-1H-imidazole
CID 839475
2-Methyl-4-nitro-1-(4-nitrophenyl)sulfonylimidazole
CID 42644918
N,2-dimethyl-5-nitro-N-[(E)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethylideneamino]benzenesulfonamide
CID 44436952
2-(4-Nitrophenyl)-1-(phenylsulfonyl)-1H-imidazole
CID 49788568

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methyl-5-nitrophenyl)sulfonylimidazole?
The IUPAC name of 2-methyl-1-(2-methyl-5-nitrophenyl)sulfonylimidazole (CID 740948) is 2-methyl-1-(2-methyl-5-nitrophenyl)sulfonylimidazole.
What is the SMILES notation for 2-methyl-1-(2-methyl-5-nitrophenyl)sulfonylimidazole?
The canonical SMILES for 2-methyl-1-(2-methyl-5-nitrophenyl)sulfonylimidazole is Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)n1ccnc1C.
What is the InChIKey of 2-methyl-1-(2-methyl-5-nitrophenyl)sulfonylimidazole?
The InChIKey is NEMMTQNKZIVLMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O4S/c1-8-3-4-10(14(15)16)7-11(8)19(17,18)13-6-5-12-9(13)2/h3-7H,1-2H3.
What are the key properties of 2-methyl-1-(2-methyl-5-nitrophenyl)sulfonylimidazole?
2-methyl-1-(2-methyl-5-nitrophenyl)sulfonylimidazole has a molecular weight of 281.29 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 2-methyl-1-(2-methyl-5-nitrophenyl)sulfonylimidazole is sourced from PubChem (CID 740948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).