1-[(3-chloro-4-fluorophenyl)methyl]imidazole-4-sulfonamide

C10H9ClFN3O2S — CID 103042428

IUPAC1-[(3-chloro-4-fluorophenyl)methyl]imidazole-4-sulfonamide
SMILESNS(=O)(=O)c1cn(Cc2ccc(F)c(Cl)c2)cn1
InChIInChI=1S/C10H9ClFN3O2S/c11-8-3-7(1-2-9(8)12)4-15-5-10(14-6-15)18(13,16)17/h1-3,5-6H,4H2,(H2,13,16,17)
InChIKeyQKQQXTGDCNQJAD-UHFFFAOYSA-N
MW289.72 g/mol
LogP1.37
Rot. Bonds3

About 1-[(3-chloro-4-fluorophenyl)methyl]imidazole-4-sulfonamide

1-[(3-chloro-4-fluorophenyl)methyl]imidazole-4-sulfonamide (PubChem CID 103042428) has the molecular formula C10H9ClFN3O2S and a molecular weight of 289.72 g/mol. Its IUPAC name is 1-[(3-chloro-4-fluorophenyl)methyl]imidazole-4-sulfonamide.

Molecular Properties

Compound Name1-[(3-chloro-4-fluorophenyl)methyl]imidazole-4-sulfonamide
PubChem CID103042428
Molecular FormulaC10H9ClFN3O2S
Molecular Weight289.72 g/mol
Exact Mass289.01
IUPAC Name1-[(3-chloro-4-fluorophenyl)methyl]imidazole-4-sulfonamide
SMILESNS(=O)(=O)c1cn(Cc2ccc(F)c(Cl)c2)cn1
InChIInChI=1S/C10H9ClFN3O2S/c11-8-3-7(1-2-9(8)12)4-15-5-10(14-6-15)18(13,16)17/h1-3,5-6H,4H2,(H2,13,16,17)
InChIKeyQKQQXTGDCNQJAD-UHFFFAOYSA-N
XLogP1.37
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.72
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-chloro-4-fluorophenyl)methyl]imidazole-4-sulfonyl chloride
CID 103040669
1-[(4-chloro-3-fluorophenyl)methyl]imidazole-4-sulfonyl chloride
CID 107885615
1-[(4-propan-2-ylphenyl)methyl]imidazole-4-sulfonamide
CID 81340177
1-[(4-tert-butylphenyl)methyl]imidazole-4-sulfonamide
CID 81339885
2-[1-[(3-chloro-4-fluorophenyl)methyl]imidazol-4-yl]ethanamine
CID 103040930
2-[1-[(3-chloro-4-fluorophenyl)methyl]imidazol-4-yl]-N-ethylethanamine
CID 103040932
1-[(4-sulfamoylphenyl)methyl]imidazole-4-carboxylic acid
CID 114203651
1-[(3-chloro-4-fluorophenyl)methyl]azetidine
CID 126990716
2-[1-[(3,4-difluorophenyl)methyl]imidazol-4-yl]ethanamine
CID 82930056
1-[(4-chloro-3-fluorophenyl)methyl]-3,5-dimethylpyrazole-4-sulfonamide
CID 107889706
2-amino-6-chloro-9-[(3-chloro-4-fluorophenyl)methyl]-7H-purine-8-thione
CID 162767100
3-[(3-chloro-4-fluorophenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
CID 99827301

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-4-fluorophenyl)methyl]imidazole-4-sulfonamide?
The IUPAC name of 1-[(3-chloro-4-fluorophenyl)methyl]imidazole-4-sulfonamide (CID 103042428) is 1-[(3-chloro-4-fluorophenyl)methyl]imidazole-4-sulfonamide.
What is the SMILES notation for 1-[(3-chloro-4-fluorophenyl)methyl]imidazole-4-sulfonamide?
The canonical SMILES for 1-[(3-chloro-4-fluorophenyl)methyl]imidazole-4-sulfonamide is NS(=O)(=O)c1cn(Cc2ccc(F)c(Cl)c2)cn1.
What is the InChIKey of 1-[(3-chloro-4-fluorophenyl)methyl]imidazole-4-sulfonamide?
The InChIKey is QKQQXTGDCNQJAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFN3O2S/c11-8-3-7(1-2-9(8)12)4-15-5-10(14-6-15)18(13,16)17/h1-3,5-6H,4H2,(H2,13,16,17).
What are the key properties of 1-[(3-chloro-4-fluorophenyl)methyl]imidazole-4-sulfonamide?
1-[(3-chloro-4-fluorophenyl)methyl]imidazole-4-sulfonamide has a molecular weight of 289.72 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloro-4-fluorophenyl)methyl]imidazole-4-sulfonamide is sourced from PubChem (CID 103042428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).