5-[1-(benzenesulfonyl)ethyl]-3,4-diethyl-1H-imidazol-2-one

C15H20N2O3S — CID 2765972

IUPAC5-[1-(benzenesulfonyl)ethyl]-3,4-diethyl-1H-imidazol-2-one
SMILESCCc1c(C(C)S(=O)(=O)c2ccccc2)[nH]c(=O)n1CC
InChIInChI=1S/C15H20N2O3S/c1-4-13-14(16-15(18)17(13)5-2)11(3)21(19,20)12-9-7-6-8-10-12/h6-11H,4-5H2,1-3H3,(H,16,18)
InChIKeyPXPVNCWPZANXFM-UHFFFAOYSA-N
MW308.40 g/mol
LogP2.29
Rot. Bonds5

About 5-[1-(benzenesulfonyl)ethyl]-3,4-diethyl-1H-imidazol-2-one

5-[1-(benzenesulfonyl)ethyl]-3,4-diethyl-1H-imidazol-2-one (PubChem CID 2765972) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is 5-[1-(benzenesulfonyl)ethyl]-3,4-diethyl-1H-imidazol-2-one.

Molecular Properties

Compound Name5-[1-(benzenesulfonyl)ethyl]-3,4-diethyl-1H-imidazol-2-one
PubChem CID2765972
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name5-[1-(benzenesulfonyl)ethyl]-3,4-diethyl-1H-imidazol-2-one
SMILESCCc1c(C(C)S(=O)(=O)c2ccccc2)[nH]c(=O)n1CC
InChIInChI=1S/C15H20N2O3S/c1-4-13-14(16-15(18)17(13)5-2)11(3)21(19,20)12-9-7-6-8-10-12/h6-11H,4-5H2,1-3H3,(H,16,18)
InChIKeyPXPVNCWPZANXFM-UHFFFAOYSA-N
XLogP2.29
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(benzenesulfonyl)ethyl]-3,4-diethyl-1H-imidazol-2-one?
The IUPAC name of 5-[1-(benzenesulfonyl)ethyl]-3,4-diethyl-1H-imidazol-2-one (CID 2765972) is 5-[1-(benzenesulfonyl)ethyl]-3,4-diethyl-1H-imidazol-2-one.
What is the SMILES notation for 5-[1-(benzenesulfonyl)ethyl]-3,4-diethyl-1H-imidazol-2-one?
The canonical SMILES for 5-[1-(benzenesulfonyl)ethyl]-3,4-diethyl-1H-imidazol-2-one is CCc1c(C(C)S(=O)(=O)c2ccccc2)[nH]c(=O)n1CC.
What is the InChIKey of 5-[1-(benzenesulfonyl)ethyl]-3,4-diethyl-1H-imidazol-2-one?
The InChIKey is PXPVNCWPZANXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-4-13-14(16-15(18)17(13)5-2)11(3)21(19,20)12-9-7-6-8-10-12/h6-11H,4-5H2,1-3H3,(H,16,18).
What are the key properties of 5-[1-(benzenesulfonyl)ethyl]-3,4-diethyl-1H-imidazol-2-one?
5-[1-(benzenesulfonyl)ethyl]-3,4-diethyl-1H-imidazol-2-one has a molecular weight of 308.40 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(benzenesulfonyl)ethyl]-3,4-diethyl-1H-imidazol-2-one is sourced from PubChem (CID 2765972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).