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

C16H16N2O5S — CID 53363410

IUPAC(2-methoxyphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate
SMILESCOc1ccccc1OS(=O)(=O)c1ccc(N2CCNC2=O)cc1
InChIInChI=1S/C16H16N2O5S/c1-22-14-4-2-3-5-15(14)23-24(20,21)13-8-6-12(7-9-13)18-11-10-17-16(18)19/h2-9H,10-11H2,1H3,(H,17,19)
InChIKeyIMFINUQNBLXFNJ-UHFFFAOYSA-N
MW348.38 g/mol
LogP1.99
Rot. Bonds5

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

(2-methoxyphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate (PubChem CID 53363410) has the molecular formula C16H16N2O5S and a molecular weight of 348.38 g/mol. Its IUPAC name is (2-methoxyphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate.

Molecular Properties

Compound Name(2-methoxyphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate
PubChem CID53363410
Molecular FormulaC16H16N2O5S
Molecular Weight348.38 g/mol
Exact Mass348.08
IUPAC Name(2-methoxyphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate
SMILESCOc1ccccc1OS(=O)(=O)c1ccc(N2CCNC2=O)cc1
InChIInChI=1S/C16H16N2O5S/c1-22-14-4-2-3-5-15(14)23-24(20,21)13-8-6-12(7-9-13)18-11-10-17-16(18)19/h2-9H,10-11H2,1H3,(H,17,19)
InChIKeyIMFINUQNBLXFNJ-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'}

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Related Compounds

1-Phenyl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]sulfonylurea
CID 60145776
N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-3,4-dimethoxybenzenesulfonamide
CID 6493637
3-(3,4-Dimethoxy-benzenesulfonyl)-1-phenyl-imidazolidine-2,4-dione
CID 10714544
(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-Methylphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate
CID 53363322
[4-(Dimethylamino)phenyl] 4-(2-oxoimidazolidin-1-yl)benzenesulfonate
CID 53363323
(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
(2,4-Difluorophenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate
CID 53363575

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate?
The IUPAC name of (2-methoxyphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate (CID 53363410) is (2-methoxyphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate.
What is the SMILES notation for (2-methoxyphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate?
The canonical SMILES for (2-methoxyphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate is COc1ccccc1OS(=O)(=O)c1ccc(N2CCNC2=O)cc1.
What is the InChIKey of (2-methoxyphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate?
The InChIKey is IMFINUQNBLXFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O5S/c1-22-14-4-2-3-5-15(14)23-24(20,21)13-8-6-12(7-9-13)18-11-10-17-16(18)19/h2-9H,10-11H2,1H3,(H,17,19).
What are the key properties of (2-methoxyphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate?
(2-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 (2-methoxyphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate is sourced from PubChem (CID 53363410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).