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

C10H9N3O4S — CID 841848

IUPAC4-methyl-1-(2-nitrophenyl)sulfonylimidazole
SMILESCc1cn(S(=O)(=O)c2ccccc2[N+](=O)[O-])cn1
InChIInChI=1S/C10H9N3O4S/c1-8-6-12(7-11-8)18(16,17)10-5-3-2-4-9(10)13(14)15/h2-7H,1H3
InChIKeyACPRMQFLVSKLOR-UHFFFAOYSA-N
MW267.27 g/mol
LogP1.34
Rot. Bonds3

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

4-methyl-1-(2-nitrophenyl)sulfonylimidazole (PubChem CID 841848) has the molecular formula C10H9N3O4S and a molecular weight of 267.27 g/mol. Its IUPAC name is 4-methyl-1-(2-nitrophenyl)sulfonylimidazole.

Molecular Properties

Compound Name4-methyl-1-(2-nitrophenyl)sulfonylimidazole
PubChem CID841848
Molecular FormulaC10H9N3O4S
Molecular Weight267.27 g/mol
Exact Mass267.03
IUPAC Name4-methyl-1-(2-nitrophenyl)sulfonylimidazole
SMILESCc1cn(S(=O)(=O)c2ccccc2[N+](=O)[O-])cn1
InChIInChI=1S/C10H9N3O4S/c1-8-6-12(7-11-8)18(16,17)10-5-3-2-4-9(10)13(14)15/h2-7H,1H3
InChIKeyACPRMQFLVSKLOR-UHFFFAOYSA-N
XLogP1.34
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 ≤ 51.34
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
N-[2-(1H-imidazol-5-yl)ethyl]-2-nitrobenzenesulfonamide
CID 44300663
2-Ethyl-1-(3-nitro-benzenesulfonyl)-1H-imidazole
CID 839472
1-[(2-chloro-5-nitrophenyl)sulfonyl]-2-ethyl-4-methyl-1H-imidazole
CID 839482
(2-Imidazol-4-ylethyl)[(4-nitrophenyl)sulfonyl]amine
CID 4130488
N-[2-(1H-imidazol-5-yl)ethyl]-3-nitrobenzenesulfonamide
CID 44304551
N-[5-(1H-Imidazol-4-yl)-pentyl]-4-nitro-benzenesulfonamide
CID 44308661
N-[3-(1H-Imidazol-4-yl)-propyl]-4-nitro-benzenesulfonamide
CID 44308903
N-[4-(1H-Imidazol-4-yl)-butyl]-4-nitro-benzenesulfonamide
CID 44308916
2-Nitro-N-pyrimidin-2-yl-benzenesulfonamide
CID 840010
1-[(2-nitrophenyl)sulfonyl]-1H-benzimidazole
CID 711151

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2-nitrophenyl)sulfonylimidazole?
The IUPAC name of 4-methyl-1-(2-nitrophenyl)sulfonylimidazole (CID 841848) is 4-methyl-1-(2-nitrophenyl)sulfonylimidazole.
What is the SMILES notation for 4-methyl-1-(2-nitrophenyl)sulfonylimidazole?
The canonical SMILES for 4-methyl-1-(2-nitrophenyl)sulfonylimidazole is Cc1cn(S(=O)(=O)c2ccccc2[N+](=O)[O-])cn1.
What is the InChIKey of 4-methyl-1-(2-nitrophenyl)sulfonylimidazole?
The InChIKey is ACPRMQFLVSKLOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O4S/c1-8-6-12(7-11-8)18(16,17)10-5-3-2-4-9(10)13(14)15/h2-7H,1H3.
What are the key properties of 4-methyl-1-(2-nitrophenyl)sulfonylimidazole?
4-methyl-1-(2-nitrophenyl)sulfonylimidazole has a molecular weight of 267.27 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2-nitrophenyl)sulfonylimidazole is sourced from PubChem (CID 841848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).