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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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).