1-(2,5-dichlorophenyl)sulfonyl-2-methyl-5-nitroimidazole

C10H7Cl2N3O4S — CID 775488

IUPAC1-(2,5-dichlorophenyl)sulfonyl-2-methyl-5-nitroimidazole
SMILESCc1ncc([N+](=O)[O-])n1S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C10H7Cl2N3O4S/c1-6-13-5-10(15(16)17)14(6)20(18,19)9-4-7(11)2-3-8(9)12/h2-5H,1H3
InChIKeyBXOUIRJZACBAEI-UHFFFAOYSA-N
MW336.16 g/mol
LogP2.64
Rot. Bonds3

About 1-(2,5-dichlorophenyl)sulfonyl-2-methyl-5-nitroimidazole

1-(2,5-dichlorophenyl)sulfonyl-2-methyl-5-nitroimidazole (PubChem CID 775488) has the molecular formula C10H7Cl2N3O4S and a molecular weight of 336.16 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)sulfonyl-2-methyl-5-nitroimidazole.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)sulfonyl-2-methyl-5-nitroimidazole
PubChem CID775488
Molecular FormulaC10H7Cl2N3O4S
Molecular Weight336.16 g/mol
Exact Mass334.95
IUPAC Name1-(2,5-dichlorophenyl)sulfonyl-2-methyl-5-nitroimidazole
SMILESCc1ncc([N+](=O)[O-])n1S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C10H7Cl2N3O4S/c1-6-13-5-10(15(16)17)14(6)20(18,19)9-4-7(11)2-3-8(9)12/h2-5H,1H3
InChIKeyBXOUIRJZACBAEI-UHFFFAOYSA-N
XLogP2.64
TPSA95.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.16
LogP ≤ 52.64
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

1-(2,5-Dichlorophenyl)sulfonylimidazole
CID 403027
1-(4-Chlorophenyl)sulfonyl-2-methyl-4-nitroimidazole
CID 42644676
1-(4-Fluorophenyl)sulfonyl-2-methyl-4-nitroimidazole
CID 42644917
1-(Benzenesulfonyl)-2-methyl-4-nitroimidazole
CID 45273343
1-[(2,5-dichlorophenyl)sulfonyl]-2-isopropyl-1H-imidazole
CID 794380
N-(4-chlorophenyl)sulfonyl-2-(2-methyl-5-nitroimidazol-1-yl)acetamide
CID 56670197
1-(4-Chlorophenyl)sulfonyl-2-methylimidazole
CID 402990
1-[(4-Fluorophenyl)sulfonyl]-2-methyl-5-nitroimidazole
CID 755286
1-(2,4-Dichlorobenzenesulfonyl)-2-methyl-1H-imidazole
CID 610596
1-(2,5-Dichlorophenyl)sulfonyl-2-methylimidazole
CID 683448
2-Methyl-5-nitro-1-(phenylsulfonyl)imidazole
CID 701466
2,5-dichloro-N-[3-(1H-imidazol-1-yl)propyl]benzenesulfonamide
CID 2843199

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)sulfonyl-2-methyl-5-nitroimidazole?
The IUPAC name of 1-(2,5-dichlorophenyl)sulfonyl-2-methyl-5-nitroimidazole (CID 775488) is 1-(2,5-dichlorophenyl)sulfonyl-2-methyl-5-nitroimidazole.
What is the SMILES notation for 1-(2,5-dichlorophenyl)sulfonyl-2-methyl-5-nitroimidazole?
The canonical SMILES for 1-(2,5-dichlorophenyl)sulfonyl-2-methyl-5-nitroimidazole is Cc1ncc([N+](=O)[O-])n1S(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(2,5-dichlorophenyl)sulfonyl-2-methyl-5-nitroimidazole?
The InChIKey is BXOUIRJZACBAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2N3O4S/c1-6-13-5-10(15(16)17)14(6)20(18,19)9-4-7(11)2-3-8(9)12/h2-5H,1H3.
What are the key properties of 1-(2,5-dichlorophenyl)sulfonyl-2-methyl-5-nitroimidazole?
1-(2,5-dichlorophenyl)sulfonyl-2-methyl-5-nitroimidazole has a molecular weight of 336.16 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)sulfonyl-2-methyl-5-nitroimidazole is sourced from PubChem (CID 775488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).