4-(5-fluoro-2-methyl-1H-imidazol-4-yl)-2-methylsulfonylaniline

C11H12FN3O2S — CID 166047867

IUPAC4-(5-fluoro-2-methyl-1H-imidazol-4-yl)-2-methylsulfonylaniline
SMILESCc1nc(-c2ccc(N)c(S(C)(=O)=O)c2)c(F)[nH]1
InChIInChI=1S/C11H12FN3O2S/c1-6-14-10(11(12)15-6)7-3-4-8(13)9(5-7)18(2,16)17/h3-5H,13H2,1-2H3,(H,14,15)
InChIKeyANXDRXQUZHLZME-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.51
Rot. Bonds2

About 4-(5-fluoro-2-methyl-1H-imidazol-4-yl)-2-methylsulfonylaniline

4-(5-fluoro-2-methyl-1H-imidazol-4-yl)-2-methylsulfonylaniline (PubChem CID 166047867) has the molecular formula C11H12FN3O2S and a molecular weight of 269.30 g/mol. Its IUPAC name is 4-(5-fluoro-2-methyl-1H-imidazol-4-yl)-2-methylsulfonylaniline.

Molecular Properties

Compound Name4-(5-fluoro-2-methyl-1H-imidazol-4-yl)-2-methylsulfonylaniline
PubChem CID166047867
Molecular FormulaC11H12FN3O2S
Molecular Weight269.30 g/mol
Exact Mass269.06
IUPAC Name4-(5-fluoro-2-methyl-1H-imidazol-4-yl)-2-methylsulfonylaniline
SMILESCc1nc(-c2ccc(N)c(S(C)(=O)=O)c2)c(F)[nH]1
InChIInChI=1S/C11H12FN3O2S/c1-6-14-10(11(12)15-6)7-3-4-8(13)9(5-7)18(2,16)17/h3-5H,13H2,1-2H3,(H,14,15)
InChIKeyANXDRXQUZHLZME-UHFFFAOYSA-N
XLogP1.51
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-2-trifluoromethyl-1H-imidazole
CID 9843038
5-(2,4-difluorophenyl)-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole
CID 18463565
5-(4-methylsulfonylphenyl)-4-phenyl-2-(trifluoromethyl)-1H-imidazole
CID 18463578
5-(3-Methylphenyl)-4-[4-(methylsulfonyl)phenyl]-2-(trifluoromethyl)-1H-imidazole
CID 18463582
4-(3-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole
CID 18463638
4-(3,4-difluorophenyl)-5-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole
CID 18463646
5-(4-methylphenyl)-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole
CID 18463775
3-methyl-N-[5-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazol-4-yl]benzenesulfonamide
CID 44343315
5-(3-fluoro-2-methylphenyl)-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole
CID 18463537
5-cyclohexyl-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole
CID 18463623
5-(2-fluorophenyl)-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole
CID 18463632
2-[(4-methanesulfonylphenyl)methyl]-1H-1,3-benzodiazole
CID 127028459

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-2-methyl-1H-imidazol-4-yl)-2-methylsulfonylaniline?
The IUPAC name of 4-(5-fluoro-2-methyl-1H-imidazol-4-yl)-2-methylsulfonylaniline (CID 166047867) is 4-(5-fluoro-2-methyl-1H-imidazol-4-yl)-2-methylsulfonylaniline.
What is the SMILES notation for 4-(5-fluoro-2-methyl-1H-imidazol-4-yl)-2-methylsulfonylaniline?
The canonical SMILES for 4-(5-fluoro-2-methyl-1H-imidazol-4-yl)-2-methylsulfonylaniline is Cc1nc(-c2ccc(N)c(S(C)(=O)=O)c2)c(F)[nH]1.
What is the InChIKey of 4-(5-fluoro-2-methyl-1H-imidazol-4-yl)-2-methylsulfonylaniline?
The InChIKey is ANXDRXQUZHLZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O2S/c1-6-14-10(11(12)15-6)7-3-4-8(13)9(5-7)18(2,16)17/h3-5H,13H2,1-2H3,(H,14,15).
What are the key properties of 4-(5-fluoro-2-methyl-1H-imidazol-4-yl)-2-methylsulfonylaniline?
4-(5-fluoro-2-methyl-1H-imidazol-4-yl)-2-methylsulfonylaniline has a molecular weight of 269.30 g/mol, XLogP of 1.51, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-2-methyl-1H-imidazol-4-yl)-2-methylsulfonylaniline is sourced from PubChem (CID 166047867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).