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

C10H9N3O4S — CID 593962

IUPAC1-methyl-2-(4-nitrophenyl)sulfonylimidazole
SMILESCn1ccnc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C10H9N3O4S/c1-12-7-6-11-10(12)18(16,17)9-4-2-8(3-5-9)13(14)15/h2-7H,1H3
InChIKeyHGAZLROAXHVEMD-UHFFFAOYSA-N
MW267.27 g/mol
LogP1.16
Rot. Bonds3

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

1-methyl-2-(4-nitrophenyl)sulfonylimidazole (PubChem CID 593962) has the molecular formula C10H9N3O4S and a molecular weight of 267.27 g/mol. Its IUPAC name is 1-methyl-2-(4-nitrophenyl)sulfonylimidazole.

Molecular Properties

Compound Name1-methyl-2-(4-nitrophenyl)sulfonylimidazole
PubChem CID593962
Molecular FormulaC10H9N3O4S
Molecular Weight267.27 g/mol
Exact Mass267.03
IUPAC Name1-methyl-2-(4-nitrophenyl)sulfonylimidazole
SMILESCn1ccnc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C10H9N3O4S/c1-12-7-6-11-10(12)18(16,17)9-4-2-8(3-5-9)13(14)15/h2-7H,1H3
InChIKeyHGAZLROAXHVEMD-UHFFFAOYSA-N
XLogP1.16
TPSA95.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.27
LogP ≤ 51.16
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
2-Ethyl-1-(2-nitro-benzenesulfonyl)-1H-imidazole
CID 699058
1-Methyl-2-(2-nitrophenyl)sulfanylimidazole
CID 3377097
Imidazole, 1-benzyl-2-(4-nitrophenyl)thio-
CID 561240
2-Ethyl-1-(3-nitro-benzenesulfonyl)-1H-imidazole
CID 839472
4,5-Dibromo-1-methyl-2-(4-nitro-benzenesulfonyl)-1H-imidazole
CID 1420909
1-methyl-N-[3-(methylsulfanyl)phenyl]-1H-imidazole-4-sulfonamide
CID 20958612
1-methyl-4-nitro-5-((4-nitrophenyl)thio)-1H-imidazole
CID 3417211
4-[(1-methyl-1H-imidazol-2-yl)thio]aniline
CID 609601
1-[(2-Ethyl-4-methylimidazolyl)sulfonyl]-4-nitrobenzene
CID 775475
2-Methyl-4-nitro-1-(4-nitrophenyl)sulfonylimidazole
CID 42644918
1-methyl-2-[(4-nitrophenyl)thio]-1H-imidazole
CID 877679

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(4-nitrophenyl)sulfonylimidazole?
The IUPAC name of 1-methyl-2-(4-nitrophenyl)sulfonylimidazole (CID 593962) is 1-methyl-2-(4-nitrophenyl)sulfonylimidazole.
What is the SMILES notation for 1-methyl-2-(4-nitrophenyl)sulfonylimidazole?
The canonical SMILES for 1-methyl-2-(4-nitrophenyl)sulfonylimidazole is Cn1ccnc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 1-methyl-2-(4-nitrophenyl)sulfonylimidazole?
The InChIKey is HGAZLROAXHVEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O4S/c1-12-7-6-11-10(12)18(16,17)9-4-2-8(3-5-9)13(14)15/h2-7H,1H3.
What are the key properties of 1-methyl-2-(4-nitrophenyl)sulfonylimidazole?
1-methyl-2-(4-nitrophenyl)sulfonylimidazole has a molecular weight of 267.27 g/mol, XLogP of 1.16, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(4-nitrophenyl)sulfonylimidazole is sourced from PubChem (CID 593962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).