(4-ethylsulfonylphenyl)-(3-methylimidazol-4-yl)methanone

C13H14N2O3S — CID 71711772

IUPAC(4-ethylsulfonylphenyl)-(3-methylimidazol-4-yl)methanone
SMILESCCS(=O)(=O)c1ccc(C(=O)c2cncn2C)cc1
InChIInChI=1S/C13H14N2O3S/c1-3-19(17,18)11-6-4-10(5-7-11)13(16)12-8-14-9-15(12)2/h4-9H,3H2,1-2H3
InChIKeyPFZMALHKJQFMSG-UHFFFAOYSA-N
MW278.33 g/mol
LogP1.44
Rot. Bonds4

About (4-ethylsulfonylphenyl)-(3-methylimidazol-4-yl)methanone

(4-ethylsulfonylphenyl)-(3-methylimidazol-4-yl)methanone (PubChem CID 71711772) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is (4-ethylsulfonylphenyl)-(3-methylimidazol-4-yl)methanone.

Molecular Properties

Compound Name(4-ethylsulfonylphenyl)-(3-methylimidazol-4-yl)methanone
PubChem CID71711772
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC Name(4-ethylsulfonylphenyl)-(3-methylimidazol-4-yl)methanone
SMILESCCS(=O)(=O)c1ccc(C(=O)c2cncn2C)cc1
InChIInChI=1S/C13H14N2O3S/c1-3-19(17,18)11-6-4-10(5-7-11)13(16)12-8-14-9-15(12)2/h4-9H,3H2,1-2H3
InChIKeyPFZMALHKJQFMSG-UHFFFAOYSA-N
XLogP1.44
TPSA69.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4-ethylsulfonylphenyl)-(3-methylimidazol-4-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-ethylsulfonylphenyl)-(3-methylimidazol-4-yl)methanone?
The IUPAC name of (4-ethylsulfonylphenyl)-(3-methylimidazol-4-yl)methanone (CID 71711772) is (4-ethylsulfonylphenyl)-(3-methylimidazol-4-yl)methanone.
What is the SMILES notation for (4-ethylsulfonylphenyl)-(3-methylimidazol-4-yl)methanone?
The canonical SMILES for (4-ethylsulfonylphenyl)-(3-methylimidazol-4-yl)methanone is CCS(=O)(=O)c1ccc(C(=O)c2cncn2C)cc1.
What is the InChIKey of (4-ethylsulfonylphenyl)-(3-methylimidazol-4-yl)methanone?
The InChIKey is PFZMALHKJQFMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c1-3-19(17,18)11-6-4-10(5-7-11)13(16)12-8-14-9-15(12)2/h4-9H,3H2,1-2H3.
What are the key properties of (4-ethylsulfonylphenyl)-(3-methylimidazol-4-yl)methanone?
(4-ethylsulfonylphenyl)-(3-methylimidazol-4-yl)methanone has a molecular weight of 278.33 g/mol, XLogP of 1.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylsulfonylphenyl)-(3-methylimidazol-4-yl)methanone is sourced from PubChem (CID 71711772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).