2-benzylsulfonyl-5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-1H-imidazole

C23H19FN2O4S2 — CID 18463533

IUPAC2-benzylsulfonyl-5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-1H-imidazole
SMILESCS(=O)(=O)c1ccc(-c2nc(S(=O)(=O)Cc3ccccc3)[nH]c2-c2ccc(F)cc2)cc1
InChIInChI=1S/C23H19FN2O4S2/c1-31(27,28)20-13-9-18(10-14-20)22-21(17-7-11-19(24)12-8-17)25-23(26-22)32(29,30)15-16-5-3-2-4-6-16/h2-14H,15H2,1H3,(H,25,26)
InChIKeyZTSLWJKNDZMNFH-UHFFFAOYSA-N
MW470.55 g/mol
LogP4.26
Rot. Bonds6

About 2-benzylsulfonyl-5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-1H-imidazole

2-benzylsulfonyl-5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-1H-imidazole (PubChem CID 18463533) has the molecular formula C23H19FN2O4S2 and a molecular weight of 470.55 g/mol. Its IUPAC name is 2-benzylsulfonyl-5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-1H-imidazole.

Molecular Properties

Compound Name2-benzylsulfonyl-5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-1H-imidazole
PubChem CID18463533
Molecular FormulaC23H19FN2O4S2
Molecular Weight470.55 g/mol
Exact Mass470.08
IUPAC Name2-benzylsulfonyl-5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-1H-imidazole
SMILESCS(=O)(=O)c1ccc(-c2nc(S(=O)(=O)Cc3ccccc3)[nH]c2-c2ccc(F)cc2)cc1
InChIInChI=1S/C23H19FN2O4S2/c1-31(27,28)20-13-9-18(10-14-20)22-21(17-7-11-19(24)12-8-17)25-23(26-22)32(29,30)15-16-5-3-2-4-6-16/h2-14H,15H2,1H3,(H,25,26)
InChIKeyZTSLWJKNDZMNFH-UHFFFAOYSA-N
XLogP4.26
TPSA96.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.55
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-2-(phenoxymethyl)-1H-imidazole
CID 18463608
5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-2-(2,2,2-trifluoroethyl)-1H-imidazole
CID 67695801
2-tert-butyl-5-(4-methylsulfonylphenyl)-4-phenyl-1H-imidazole
CID 18463750
4-[2-benzylsulfanyl-5-(4-fluorophenyl)-1H-imidazol-4-yl]benzenesulfonamide
CID 18463782
5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-2-[3-(trifluoromethyl)phenyl]-1H-imidazole
CID 142636183
N-benzyl-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-thiazol-2-amine;ethane
CID 142982468
2-ethyl-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-thiazole
CID 22911810
3-(4-methylphenyl)-5-[(4-methylsulfonylphenyl)methylsulfonyl]-1H-1,2,4-triazole
CID 136541420
4-[5-(4-fluorophenyl)-2-methylsulfonyl-1H-imidazol-4-yl]-N-(1-phenylethyl)pyridin-2-amine
CID 154699724
2-(fluoromethylsulfonyl)-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-thiazole
CID 70204757
2-[2-(4-fluorophenyl)ethyl]-6-(4-methylsulfonylphenyl)pyrazine
CID 167640304
CID 88776636
CID 88776636

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfonyl-5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-1H-imidazole?
The IUPAC name of 2-benzylsulfonyl-5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-1H-imidazole (CID 18463533) is 2-benzylsulfonyl-5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-1H-imidazole.
What is the SMILES notation for 2-benzylsulfonyl-5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-1H-imidazole?
The canonical SMILES for 2-benzylsulfonyl-5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-1H-imidazole is CS(=O)(=O)c1ccc(-c2nc(S(=O)(=O)Cc3ccccc3)[nH]c2-c2ccc(F)cc2)cc1.
What is the InChIKey of 2-benzylsulfonyl-5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-1H-imidazole?
The InChIKey is ZTSLWJKNDZMNFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN2O4S2/c1-31(27,28)20-13-9-18(10-14-20)22-21(17-7-11-19(24)12-8-17)25-23(26-22)32(29,30)15-16-5-3-2-4-6-16/h2-14H,15H2,1H3,(H,25,26).
What are the key properties of 2-benzylsulfonyl-5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-1H-imidazole?
2-benzylsulfonyl-5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-1H-imidazole has a molecular weight of 470.55 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfonyl-5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-1H-imidazole is sourced from PubChem (CID 18463533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).