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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Related Compounds

5-(4-fluorophenyl)sulfonyl-4-methylsulfonyl-2-phenyl-1H-imidazole
CID 156743628
5-(4-methylphenyl)sulfonyl-4-[[(2S)-oxiran-2-yl]methylsulfanyl]-2-phenyl-1H-imidazole
CID 6549929
5-(4-methylphenyl)sulfonyl-4-methylsulfonyl-2-phenyl-1H-imidazole
CID 138392121
2-[[5-(benzenesulfonyl)-2-phenyl-1H-imidazol-4-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 20896139
2-[[5-(4-methylphenyl)sulfonyl-2-phenyl-1H-imidazol-4-yl]sulfanyl]-1-morpholin-4-ylethanone
CID 27376165
2-[[5-(benzenesulfonyl)-2-phenyl-1H-imidazol-4-yl]sulfanyl]-N-(3-cyanophenyl)acetamide
CID 2474153
2-[[5-(benzenesulfonyl)-2-phenyl-1H-imidazol-4-yl]sulfanyl]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 42111201
2-[[5-(4-methylphenyl)sulfonyl-2-phenyl-1H-imidazol-4-yl]sulfanyl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone
CID 42486651
CID 22066365
CID 22066365
1-(benzenesulfonyl)-2-methylsulfanylbenzene
CID 139816771
4-(benzenesulfonylsulfanyl)-2-(4-methylphenyl)-N,N-diphenyl-1H-imidazol-5-amine
CID 5126816
2-phenyl-6-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]-1H-benzimidazole
CID 101498548

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).