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

C17H16N2O4S2 — CID 138392121

IUPAC5-(4-methylphenyl)sulfonyl-4-methylsulfonyl-2-phenyl-1H-imidazole
SMILESCc1ccc(S(=O)(=O)c2[nH]c(-c3ccccc3)nc2S(C)(=O)=O)cc1
InChIInChI=1S/C17H16N2O4S2/c1-12-8-10-14(11-9-12)25(22,23)17-16(24(2,20)21)18-15(19-17)13-6-4-3-5-7-13/h3-11H,1-2H3,(H,18,19)
InChIKeyLFEAVZROKRALKY-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.62
Rot. Bonds4

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

5-(4-methylphenyl)sulfonyl-4-methylsulfonyl-2-phenyl-1H-imidazole (PubChem CID 138392121) has the molecular formula C17H16N2O4S2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 5-(4-methylphenyl)sulfonyl-4-methylsulfonyl-2-phenyl-1H-imidazole.

Molecular Properties

Compound Name5-(4-methylphenyl)sulfonyl-4-methylsulfonyl-2-phenyl-1H-imidazole
PubChem CID138392121
Molecular FormulaC17H16N2O4S2
Molecular Weight376.46 g/mol
Exact Mass376.06
IUPAC Name5-(4-methylphenyl)sulfonyl-4-methylsulfonyl-2-phenyl-1H-imidazole
SMILESCc1ccc(S(=O)(=O)c2[nH]c(-c3ccccc3)nc2S(C)(=O)=O)cc1
InChIInChI=1S/C17H16N2O4S2/c1-12-8-10-14(11-9-12)25(22,23)17-16(24(2,20)21)18-15(19-17)13-6-4-3-5-7-13/h3-11H,1-2H3,(H,18,19)
InChIKeyLFEAVZROKRALKY-UHFFFAOYSA-N
XLogP2.62
TPSA96.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-fluorophenyl)sulfonyl-4-methylsulfonyl-2-phenyl-1H-imidazole
CID 156743628
N-(3-chloro-2-methylphenyl)-2-[[5-(4-methylphenyl)sulfonyl-2-phenyl-1H-imidazol-4-yl]sulfonyl]acetamide
CID 20896132
N-(4-chlorophenyl)-2-[[5-(4-methylphenyl)sulfonyl-2-phenyl-1H-imidazol-4-yl]sulfonyl]acetamide
CID 46267424
5-(4-chlorophenyl)sulfonyl-2-(3-methoxyphenyl)-4-methylsulfonyl-1H-imidazole
CID 167344340
5-(4-methylphenyl)sulfonyl-4-[[(2S)-oxiran-2-yl]methylsulfanyl]-2-phenyl-1H-imidazole
CID 6549929
5-(benzenesulfonyl)-4-methylsulfanyl-2-phenyl-1H-imidazole
CID 2148043
1-methyl-4-(4-phenylphenyl)sulfonylbenzene
CID 2801718
1-methyl-4-[4-(4-phenylphenyl)sulfonylphenyl]benzene
CID 58526721
2-[[5-(4-methylphenyl)sulfonyl-2-phenyl-1H-imidazol-4-yl]sulfanyl]-1-morpholin-4-ylethanone
CID 27376165
2-[[5-(4-methylphenyl)sulfonyl-2-phenyl-1H-imidazol-4-yl]sulfanyl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone
CID 42486651
6-methyl-2-(4-methylsulfonylphenyl)-1H-benzimidazole
CID 60979057
2-(4-methylphenyl)sulfonyl-5-phenyl-4H-1,2,4-triazol-3-one
CID 135494515

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)sulfonyl-4-methylsulfonyl-2-phenyl-1H-imidazole?
The IUPAC name of 5-(4-methylphenyl)sulfonyl-4-methylsulfonyl-2-phenyl-1H-imidazole (CID 138392121) is 5-(4-methylphenyl)sulfonyl-4-methylsulfonyl-2-phenyl-1H-imidazole.
What is the SMILES notation for 5-(4-methylphenyl)sulfonyl-4-methylsulfonyl-2-phenyl-1H-imidazole?
The canonical SMILES for 5-(4-methylphenyl)sulfonyl-4-methylsulfonyl-2-phenyl-1H-imidazole is Cc1ccc(S(=O)(=O)c2[nH]c(-c3ccccc3)nc2S(C)(=O)=O)cc1.
What is the InChIKey of 5-(4-methylphenyl)sulfonyl-4-methylsulfonyl-2-phenyl-1H-imidazole?
The InChIKey is LFEAVZROKRALKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4S2/c1-12-8-10-14(11-9-12)25(22,23)17-16(24(2,20)21)18-15(19-17)13-6-4-3-5-7-13/h3-11H,1-2H3,(H,18,19).
What are the key properties of 5-(4-methylphenyl)sulfonyl-4-methylsulfonyl-2-phenyl-1H-imidazole?
5-(4-methylphenyl)sulfonyl-4-methylsulfonyl-2-phenyl-1H-imidazole has a molecular weight of 376.46 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)sulfonyl-4-methylsulfonyl-2-phenyl-1H-imidazole is sourced from PubChem (CID 138392121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).