5-(4-fluorophenyl)sulfonyl-4-methylsulfonyl-2-phenyl-1H-imidazole

C16H13FN2O4S2 — CID 156743628

IUPAC5-(4-fluorophenyl)sulfonyl-4-methylsulfonyl-2-phenyl-1H-imidazole
SMILESCS(=O)(=O)c1nc(-c2ccccc2)[nH]c1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C16H13FN2O4S2/c1-24(20,21)15-16(19-14(18-15)11-5-3-2-4-6-11)25(22,23)13-9-7-12(17)8-10-13/h2-10H,1H3,(H,18,19)
InChIKeyNMIHDAWBPXJBMP-UHFFFAOYSA-N
MW380.42 g/mol
LogP2.45
Rot. Bonds4

About 5-(4-fluorophenyl)sulfonyl-4-methylsulfonyl-2-phenyl-1H-imidazole

5-(4-fluorophenyl)sulfonyl-4-methylsulfonyl-2-phenyl-1H-imidazole (PubChem CID 156743628) has the molecular formula C16H13FN2O4S2 and a molecular weight of 380.42 g/mol. Its IUPAC name is 5-(4-fluorophenyl)sulfonyl-4-methylsulfonyl-2-phenyl-1H-imidazole.

Molecular Properties

Compound Name5-(4-fluorophenyl)sulfonyl-4-methylsulfonyl-2-phenyl-1H-imidazole
PubChem CID156743628
Molecular FormulaC16H13FN2O4S2
Molecular Weight380.42 g/mol
Exact Mass380.03
IUPAC Name5-(4-fluorophenyl)sulfonyl-4-methylsulfonyl-2-phenyl-1H-imidazole
SMILESCS(=O)(=O)c1nc(-c2ccccc2)[nH]c1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C16H13FN2O4S2/c1-24(20,21)15-16(19-14(18-15)11-5-3-2-4-6-11)25(22,23)13-9-7-12(17)8-10-13/h2-10H,1H3,(H,18,19)
InChIKeyNMIHDAWBPXJBMP-UHFFFAOYSA-N
XLogP2.45
TPSA96.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)sulfonyl-4-methylsulfonyl-2-phenyl-1H-imidazole?
The IUPAC name of 5-(4-fluorophenyl)sulfonyl-4-methylsulfonyl-2-phenyl-1H-imidazole (CID 156743628) is 5-(4-fluorophenyl)sulfonyl-4-methylsulfonyl-2-phenyl-1H-imidazole.
What is the SMILES notation for 5-(4-fluorophenyl)sulfonyl-4-methylsulfonyl-2-phenyl-1H-imidazole?
The canonical SMILES for 5-(4-fluorophenyl)sulfonyl-4-methylsulfonyl-2-phenyl-1H-imidazole is CS(=O)(=O)c1nc(-c2ccccc2)[nH]c1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 5-(4-fluorophenyl)sulfonyl-4-methylsulfonyl-2-phenyl-1H-imidazole?
The InChIKey is NMIHDAWBPXJBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O4S2/c1-24(20,21)15-16(19-14(18-15)11-5-3-2-4-6-11)25(22,23)13-9-7-12(17)8-10-13/h2-10H,1H3,(H,18,19).
What are the key properties of 5-(4-fluorophenyl)sulfonyl-4-methylsulfonyl-2-phenyl-1H-imidazole?
5-(4-fluorophenyl)sulfonyl-4-methylsulfonyl-2-phenyl-1H-imidazole has a molecular weight of 380.42 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)sulfonyl-4-methylsulfonyl-2-phenyl-1H-imidazole is sourced from PubChem (CID 156743628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).