1-(4-methylphenyl)sulfonyl-4-thiophen-2-ylimidazole

C14H12N2O2S2 — CID 132933457

IUPAC1-(4-methylphenyl)sulfonyl-4-thiophen-2-ylimidazole
SMILESCc1ccc(S(=O)(=O)n2cnc(-c3cccs3)c2)cc1
InChIInChI=1S/C14H12N2O2S2/c1-11-4-6-12(7-5-11)20(17,18)16-9-13(15-10-16)14-3-2-8-19-14/h2-10H,1H3
InChIKeyNWIMSCUZWWCRSA-UHFFFAOYSA-N
MW304.40 g/mol
LogP3.16
Rot. Bonds3

About 1-(4-methylphenyl)sulfonyl-4-thiophen-2-ylimidazole

1-(4-methylphenyl)sulfonyl-4-thiophen-2-ylimidazole (PubChem CID 132933457) has the molecular formula C14H12N2O2S2 and a molecular weight of 304.40 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-4-thiophen-2-ylimidazole.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-4-thiophen-2-ylimidazole
PubChem CID132933457
Molecular FormulaC14H12N2O2S2
Molecular Weight304.40 g/mol
Exact Mass304.03
IUPAC Name1-(4-methylphenyl)sulfonyl-4-thiophen-2-ylimidazole
SMILESCc1ccc(S(=O)(=O)n2cnc(-c3cccs3)c2)cc1
InChIInChI=1S/C14H12N2O2S2/c1-11-4-6-12(7-5-11)20(17,18)16-9-13(15-10-16)14-3-2-8-19-14/h2-10H,1H3
InChIKeyNWIMSCUZWWCRSA-UHFFFAOYSA-N
XLogP3.16
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-4-thiophen-2-ylimidazole?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-4-thiophen-2-ylimidazole (CID 132933457) is 1-(4-methylphenyl)sulfonyl-4-thiophen-2-ylimidazole.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-4-thiophen-2-ylimidazole?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-4-thiophen-2-ylimidazole is Cc1ccc(S(=O)(=O)n2cnc(-c3cccs3)c2)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-4-thiophen-2-ylimidazole?
The InChIKey is NWIMSCUZWWCRSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2S2/c1-11-4-6-12(7-5-11)20(17,18)16-9-13(15-10-16)14-3-2-8-19-14/h2-10H,1H3.
What are the key properties of 1-(4-methylphenyl)sulfonyl-4-thiophen-2-ylimidazole?
1-(4-methylphenyl)sulfonyl-4-thiophen-2-ylimidazole has a molecular weight of 304.40 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-4-thiophen-2-ylimidazole is sourced from PubChem (CID 132933457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).