5-(benzenesulfonylmethyl)-3-ethyl-4-methyl-1H-imidazol-2-one

C13H16N2O3S — CID 1489253

IUPAC5-(benzenesulfonylmethyl)-3-ethyl-4-methyl-1H-imidazol-2-one
SMILESCCn1c(C)c(CS(=O)(=O)c2ccccc2)[nH]c1=O
InChIInChI=1S/C13H16N2O3S/c1-3-15-10(2)12(14-13(15)16)9-19(17,18)11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3,(H,14,16)
InChIKeyJNXYPFNPFQXNEZ-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.48
Rot. Bonds4

About 5-(benzenesulfonylmethyl)-3-ethyl-4-methyl-1H-imidazol-2-one

5-(benzenesulfonylmethyl)-3-ethyl-4-methyl-1H-imidazol-2-one (PubChem CID 1489253) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is 5-(benzenesulfonylmethyl)-3-ethyl-4-methyl-1H-imidazol-2-one.

Molecular Properties

Compound Name5-(benzenesulfonylmethyl)-3-ethyl-4-methyl-1H-imidazol-2-one
PubChem CID1489253
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC Name5-(benzenesulfonylmethyl)-3-ethyl-4-methyl-1H-imidazol-2-one
SMILESCCn1c(C)c(CS(=O)(=O)c2ccccc2)[nH]c1=O
InChIInChI=1S/C13H16N2O3S/c1-3-15-10(2)12(14-13(15)16)9-19(17,18)11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3,(H,14,16)
InChIKeyJNXYPFNPFQXNEZ-UHFFFAOYSA-N
XLogP1.48
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonylmethyl)-3-ethyl-4-methyl-1H-imidazol-2-one?
The IUPAC name of 5-(benzenesulfonylmethyl)-3-ethyl-4-methyl-1H-imidazol-2-one (CID 1489253) is 5-(benzenesulfonylmethyl)-3-ethyl-4-methyl-1H-imidazol-2-one.
What is the SMILES notation for 5-(benzenesulfonylmethyl)-3-ethyl-4-methyl-1H-imidazol-2-one?
The canonical SMILES for 5-(benzenesulfonylmethyl)-3-ethyl-4-methyl-1H-imidazol-2-one is CCn1c(C)c(CS(=O)(=O)c2ccccc2)[nH]c1=O.
What is the InChIKey of 5-(benzenesulfonylmethyl)-3-ethyl-4-methyl-1H-imidazol-2-one?
The InChIKey is JNXYPFNPFQXNEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S/c1-3-15-10(2)12(14-13(15)16)9-19(17,18)11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3,(H,14,16).
What are the key properties of 5-(benzenesulfonylmethyl)-3-ethyl-4-methyl-1H-imidazol-2-one?
5-(benzenesulfonylmethyl)-3-ethyl-4-methyl-1H-imidazol-2-one has a molecular weight of 280.35 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonylmethyl)-3-ethyl-4-methyl-1H-imidazol-2-one is sourced from PubChem (CID 1489253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).