N-(4-fluorophenyl)sulfonyl-2-(2-methyl-5-nitroimidazol-1-yl)acetamide

C12H11FN4O5S — CID 54754343

IUPACN-(4-fluorophenyl)sulfonyl-2-(2-methyl-5-nitroimidazol-1-yl)acetamide
SMILESCc1ncc([N+](=O)[O-])n1CC(=O)NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C12H11FN4O5S/c1-8-14-6-12(17(19)20)16(8)7-11(18)15-23(21,22)10-4-2-9(13)3-5-10/h2-6H,7H2,1H3,(H,15,18)
InChIKeyAWTAJVRCTGKUAG-UHFFFAOYSA-N
MW342.31 g/mol
LogP0.74
Rot. Bonds5

About N-(4-fluorophenyl)sulfonyl-2-(2-methyl-5-nitroimidazol-1-yl)acetamide

N-(4-fluorophenyl)sulfonyl-2-(2-methyl-5-nitroimidazol-1-yl)acetamide (PubChem CID 54754343) has the molecular formula C12H11FN4O5S and a molecular weight of 342.31 g/mol. Its IUPAC name is N-(4-fluorophenyl)sulfonyl-2-(2-methyl-5-nitroimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)sulfonyl-2-(2-methyl-5-nitroimidazol-1-yl)acetamide
PubChem CID54754343
Molecular FormulaC12H11FN4O5S
Molecular Weight342.31 g/mol
Exact Mass342.04
IUPAC NameN-(4-fluorophenyl)sulfonyl-2-(2-methyl-5-nitroimidazol-1-yl)acetamide
SMILESCc1ncc([N+](=O)[O-])n1CC(=O)NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C12H11FN4O5S/c1-8-14-6-12(17(19)20)16(8)7-11(18)15-23(21,22)10-4-2-9(13)3-5-10/h2-6H,7H2,1H3,(H,15,18)
InChIKeyAWTAJVRCTGKUAG-UHFFFAOYSA-N
XLogP0.74
TPSA124.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.31
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(4-fluorophenyl)sulfonyl-2-(2-methyl-5-nitroimidazol-1-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-Fluorophenyl)sulfonyl-2-methyl-4-nitroimidazole
CID 42644917
1-(Benzenesulfonyl)-2-methyl-4-nitroimidazole
CID 45273343
N-(benzenesulfonyl)-2-(2-methyl-5-nitroimidazol-1-yl)acetamide
CID 56666765
2-(2-methyl-5-nitroimidazol-1-yl)-N-(4-methylphenyl)sulfonylacetamide
CID 56670196
N-(4-chlorophenyl)sulfonyl-2-(2-methyl-5-nitroimidazol-1-yl)acetamide
CID 56670197
N-(4-bromobenzenesulfonyl)-2-(2-methyl-5-nitro-1H-imidazol-1-yl)acetamide
CID 56680356
1-[(4-Fluorophenyl)sulfonyl]-2-methyl-5-nitroimidazole
CID 755286
2-Methyl-5-nitro-1-(phenylsulfonyl)imidazole
CID 701466
4-fluoro-N-[1-(2-hydroxyethyl)-2-methyl-5-nitroimidazol-4-yl]benzenesulfonamide
CID 57616465
N-(4-fluorophenyl)sulfonyl-9-nitro-2,3,5,6-tetrahydroimidazo[2,1-b][1,3,6]oxadiazocine-4-carboxamide
CID 71571033
[4-Nitro-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]imidazol-2-yl]methyl 4-methylbenzenesulfonate
CID 117802871
[5-Nitro-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]imidazol-2-yl]methyl 4-methylbenzenesulfonate
CID 117803086

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)sulfonyl-2-(2-methyl-5-nitroimidazol-1-yl)acetamide?
The IUPAC name of N-(4-fluorophenyl)sulfonyl-2-(2-methyl-5-nitroimidazol-1-yl)acetamide (CID 54754343) is N-(4-fluorophenyl)sulfonyl-2-(2-methyl-5-nitroimidazol-1-yl)acetamide.
What is the SMILES notation for N-(4-fluorophenyl)sulfonyl-2-(2-methyl-5-nitroimidazol-1-yl)acetamide?
The canonical SMILES for N-(4-fluorophenyl)sulfonyl-2-(2-methyl-5-nitroimidazol-1-yl)acetamide is Cc1ncc([N+](=O)[O-])n1CC(=O)NS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)sulfonyl-2-(2-methyl-5-nitroimidazol-1-yl)acetamide?
The InChIKey is AWTAJVRCTGKUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN4O5S/c1-8-14-6-12(17(19)20)16(8)7-11(18)15-23(21,22)10-4-2-9(13)3-5-10/h2-6H,7H2,1H3,(H,15,18).
What are the key properties of N-(4-fluorophenyl)sulfonyl-2-(2-methyl-5-nitroimidazol-1-yl)acetamide?
N-(4-fluorophenyl)sulfonyl-2-(2-methyl-5-nitroimidazol-1-yl)acetamide has a molecular weight of 342.31 g/mol, XLogP of 0.74, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)sulfonyl-2-(2-methyl-5-nitroimidazol-1-yl)acetamide is sourced from PubChem (CID 54754343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).