1-[2-(benzenesulfonyl)ethyl]-2-thiophen-2-ylimidazole

C15H14N2O2S2 — CID 84590270

IUPAC1-[2-(benzenesulfonyl)ethyl]-2-thiophen-2-ylimidazole
SMILESO=S(=O)(CCn1ccnc1-c1cccs1)c1ccccc1
InChIInChI=1S/C15H14N2O2S2/c18-21(19,13-5-2-1-3-6-13)12-10-17-9-8-16-15(17)14-7-4-11-20-14/h1-9,11H,10,12H2
InChIKeyIFAJBTYAUKTJOU-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.09
Rot. Bonds5

About 1-[2-(benzenesulfonyl)ethyl]-2-thiophen-2-ylimidazole

1-[2-(benzenesulfonyl)ethyl]-2-thiophen-2-ylimidazole (PubChem CID 84590270) has the molecular formula C15H14N2O2S2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-[2-(benzenesulfonyl)ethyl]-2-thiophen-2-ylimidazole.

Molecular Properties

Compound Name1-[2-(benzenesulfonyl)ethyl]-2-thiophen-2-ylimidazole
PubChem CID84590270
Molecular FormulaC15H14N2O2S2
Molecular Weight318.42 g/mol
Exact Mass318.05
IUPAC Name1-[2-(benzenesulfonyl)ethyl]-2-thiophen-2-ylimidazole
SMILESO=S(=O)(CCn1ccnc1-c1cccs1)c1ccccc1
InChIInChI=1S/C15H14N2O2S2/c18-21(19,13-5-2-1-3-6-13)12-10-17-9-8-16-15(17)14-7-4-11-20-14/h1-9,11H,10,12H2
InChIKeyIFAJBTYAUKTJOU-UHFFFAOYSA-N
XLogP3.09
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-Thiophen-2-yl-4-trifluoromethyl-imidazol-1-yl)-benzenesulfonamide
CID 10619336
1-(4-Methanesulfonyl-phenyl)-2-thiophen-2-yl-4-trifluoromethyl-1H-imidazole
CID 11793632
4-(1-methyl-1H-imidazole-2-sulfonyl)-5-methylsulfanyl-thiophene-2-carboxamidine
CID 21886028
1-(4-Methanesulfonyl-phenyl)-2-thiophen-3-yl-4-trifluoromethyl-1H-imidazole
CID 10619274
3-Thiophen-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 2999568
N,N-dimethyl-1-{5-[1-(3-thienylmethyl)-1H-imidazol-2-yl]-3-thienyl}methanamine
CID 56745066
1-[2-(methylsulfonyl)ethyl]-2-(3-methyl-2-thienyl)-1H-imidazole
CID 56912209
N-methyl-N-{2-[2-(3-methyl-2-thienyl)-1H-imidazol-1-yl]ethyl}methanesulfonamide
CID 70739875
2-(3-methyl-2-thienyl)-1-[2-(pyrrolidin-1-ylsulfonyl)ethyl]-1H-imidazole
CID 70750663
N-(3-(2-phenyl-1H-imidazol-1-yl)propyl)thiophene-2-sulfonamide
CID 71789028
N-(2-(2-(pyridin-2-yl)-1H-imidazol-1-yl)ethyl)thiophene-2-sulfonamide
CID 86266161
2-(Thiophen-2-yl)-1h-imidazol-1-ol
CID 11321166

Frequently Asked Questions

What is the IUPAC name of 1-[2-(benzenesulfonyl)ethyl]-2-thiophen-2-ylimidazole?
The IUPAC name of 1-[2-(benzenesulfonyl)ethyl]-2-thiophen-2-ylimidazole (CID 84590270) is 1-[2-(benzenesulfonyl)ethyl]-2-thiophen-2-ylimidazole.
What is the SMILES notation for 1-[2-(benzenesulfonyl)ethyl]-2-thiophen-2-ylimidazole?
The canonical SMILES for 1-[2-(benzenesulfonyl)ethyl]-2-thiophen-2-ylimidazole is O=S(=O)(CCn1ccnc1-c1cccs1)c1ccccc1.
What is the InChIKey of 1-[2-(benzenesulfonyl)ethyl]-2-thiophen-2-ylimidazole?
The InChIKey is IFAJBTYAUKTJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S2/c18-21(19,13-5-2-1-3-6-13)12-10-17-9-8-16-15(17)14-7-4-11-20-14/h1-9,11H,10,12H2.
What are the key properties of 1-[2-(benzenesulfonyl)ethyl]-2-thiophen-2-ylimidazole?
1-[2-(benzenesulfonyl)ethyl]-2-thiophen-2-ylimidazole has a molecular weight of 318.42 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(benzenesulfonyl)ethyl]-2-thiophen-2-ylimidazole is sourced from PubChem (CID 84590270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).