(3-methoxyphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate

C16H16N2O5S — CID 53363579

IUPAC(3-methoxyphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate
SMILESCOc1cccc(OS(=O)(=O)c2ccc(N3CCNC3=O)cc2)c1
InChIInChI=1S/C16H16N2O5S/c1-22-13-3-2-4-14(11-13)23-24(20,21)15-7-5-12(6-8-15)18-10-9-17-16(18)19/h2-8,11H,9-10H2,1H3,(H,17,19)
InChIKeyWIDDDEJVINLUNN-UHFFFAOYSA-N
MW348.38 g/mol
LogP1.99
Rot. Bonds5

About (3-methoxyphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate

(3-methoxyphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate (PubChem CID 53363579) has the molecular formula C16H16N2O5S and a molecular weight of 348.38 g/mol. Its IUPAC name is (3-methoxyphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate.

Molecular Properties

Compound Name(3-methoxyphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate
PubChem CID53363579
Molecular FormulaC16H16N2O5S
Molecular Weight348.38 g/mol
Exact Mass348.08
IUPAC Name(3-methoxyphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate
SMILESCOc1cccc(OS(=O)(=O)c2ccc(N3CCNC3=O)cc2)c1
InChIInChI=1S/C16H16N2O5S/c1-22-13-3-2-4-14(11-13)23-24(20,21)15-7-5-12(6-8-15)18-10-9-17-16(18)19/h2-8,11H,9-10H2,1H3,(H,17,19)
InChIKeyWIDDDEJVINLUNN-UHFFFAOYSA-N
XLogP1.99
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze (3-methoxyphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate with MolForge

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

Launch Full Analysis

Related Compounds

(4-Methoxyphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate
CID 53353818
(3,5-Dimethoxyphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate
CID 53361618
(3,4,5-Trimethoxyphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate
CID 53361619
[4-(Dimethylamino)phenyl] 4-(2-oxoimidazolidin-1-yl)benzenesulfonate
CID 53363323
(2-Methoxyphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate
CID 53363410
(2-Ethoxyphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate
CID 53363411
(2-Fluorophenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate
CID 53363413
(2-Iodophenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate
CID 53363492
(3-Ethoxyphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate
CID 53363580
(3-Fluorophenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate
CID 53363675
(3-Iodophenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate
CID 53363676
(3,4-Dimethoxyphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate
CID 53363681

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate?
The IUPAC name of (3-methoxyphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate (CID 53363579) is (3-methoxyphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate.
What is the SMILES notation for (3-methoxyphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate?
The canonical SMILES for (3-methoxyphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate is COc1cccc(OS(=O)(=O)c2ccc(N3CCNC3=O)cc2)c1.
What is the InChIKey of (3-methoxyphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate?
The InChIKey is WIDDDEJVINLUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O5S/c1-22-13-3-2-4-14(11-13)23-24(20,21)15-7-5-12(6-8-15)18-10-9-17-16(18)19/h2-8,11H,9-10H2,1H3,(H,17,19).
What are the key properties of (3-methoxyphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate?
(3-methoxyphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate has a molecular weight of 348.38 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate is sourced from PubChem (CID 53363579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).