5-(benzenesulfonyl)-4-methylsulfanyl-2-phenyl-1H-imidazole

C16H14N2O2S2 — CID 2148043

IUPAC5-(benzenesulfonyl)-4-methylsulfanyl-2-phenyl-1H-imidazole
SMILESCSc1nc(-c2ccccc2)[nH]c1S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H14N2O2S2/c1-21-15-16(22(19,20)13-10-6-3-7-11-13)18-14(17-15)12-8-4-2-5-9-12/h2-11H,1H3,(H,17,18)
InChIKeyOQFAORHWMJGDJZ-UHFFFAOYSA-N
MW330.43 g/mol
LogP3.63
Rot. Bonds4

About 5-(benzenesulfonyl)-4-methylsulfanyl-2-phenyl-1H-imidazole

5-(benzenesulfonyl)-4-methylsulfanyl-2-phenyl-1H-imidazole (PubChem CID 2148043) has the molecular formula C16H14N2O2S2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 5-(benzenesulfonyl)-4-methylsulfanyl-2-phenyl-1H-imidazole.

Molecular Properties

Compound Name5-(benzenesulfonyl)-4-methylsulfanyl-2-phenyl-1H-imidazole
PubChem CID2148043
Molecular FormulaC16H14N2O2S2
Molecular Weight330.43 g/mol
Exact Mass330.05
IUPAC Name5-(benzenesulfonyl)-4-methylsulfanyl-2-phenyl-1H-imidazole
SMILESCSc1nc(-c2ccccc2)[nH]c1S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H14N2O2S2/c1-21-15-16(22(19,20)13-10-6-3-7-11-13)18-14(17-15)12-8-4-2-5-9-12/h2-11H,1H3,(H,17,18)
InChIKeyOQFAORHWMJGDJZ-UHFFFAOYSA-N
XLogP3.63
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonyl)-4-methylsulfanyl-2-phenyl-1H-imidazole?
The IUPAC name of 5-(benzenesulfonyl)-4-methylsulfanyl-2-phenyl-1H-imidazole (CID 2148043) is 5-(benzenesulfonyl)-4-methylsulfanyl-2-phenyl-1H-imidazole.
What is the SMILES notation for 5-(benzenesulfonyl)-4-methylsulfanyl-2-phenyl-1H-imidazole?
The canonical SMILES for 5-(benzenesulfonyl)-4-methylsulfanyl-2-phenyl-1H-imidazole is CSc1nc(-c2ccccc2)[nH]c1S(=O)(=O)c1ccccc1.
What is the InChIKey of 5-(benzenesulfonyl)-4-methylsulfanyl-2-phenyl-1H-imidazole?
The InChIKey is OQFAORHWMJGDJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S2/c1-21-15-16(22(19,20)13-10-6-3-7-11-13)18-14(17-15)12-8-4-2-5-9-12/h2-11H,1H3,(H,17,18).
What are the key properties of 5-(benzenesulfonyl)-4-methylsulfanyl-2-phenyl-1H-imidazole?
5-(benzenesulfonyl)-4-methylsulfanyl-2-phenyl-1H-imidazole has a molecular weight of 330.43 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonyl)-4-methylsulfanyl-2-phenyl-1H-imidazole is sourced from PubChem (CID 2148043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).