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

C18H20N2O5S — CID 53363857

IUPAC(4-propoxyphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate
SMILESCCCOc1ccc(OS(=O)(=O)c2ccc(N3CCNC3=O)cc2)cc1
InChIInChI=1S/C18H20N2O5S/c1-2-13-24-15-5-7-16(8-6-15)25-26(22,23)17-9-3-14(4-10-17)20-12-11-19-18(20)21/h3-10H,2,11-13H2,1H3,(H,19,21)
InChIKeyYOMINPJUNVTECT-UHFFFAOYSA-N
MW376.43 g/mol
LogP2.77
Rot. Bonds7

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

(4-propoxyphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate (PubChem CID 53363857) has the molecular formula C18H20N2O5S and a molecular weight of 376.43 g/mol. Its IUPAC name is (4-propoxyphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate.

Molecular Properties

Compound Name(4-propoxyphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate
PubChem CID53363857
Molecular FormulaC18H20N2O5S
Molecular Weight376.43 g/mol
Exact Mass376.11
IUPAC Name(4-propoxyphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate
SMILESCCCOc1ccc(OS(=O)(=O)c2ccc(N3CCNC3=O)cc2)cc1
InChIInChI=1S/C18H20N2O5S/c1-2-13-24-15-5-7-16(8-6-15)25-26(22,23)17-9-3-14(4-10-17)20-12-11-19-18(20)21/h3-10H,2,11-13H2,1H3,(H,19,21)
InChIKeyYOMINPJUNVTECT-UHFFFAOYSA-N
XLogP2.77
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 52.77
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

4-(3-(4-Butoxyphenyl)ureido)benzenesulfonamide
CID 50942416
4-(2-oxopyrrolidin-1-yl)-N-(2-phenoxyethyl)benzenesulfonamide
CID 1811239
1-Phenyl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]sulfonylurea
CID 60145776
(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
(2,4-Difluorophenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate
CID 53363575

Frequently Asked Questions

What is the IUPAC name of (4-propoxyphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate?
The IUPAC name of (4-propoxyphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate (CID 53363857) is (4-propoxyphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate.
What is the SMILES notation for (4-propoxyphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate?
The canonical SMILES for (4-propoxyphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate is CCCOc1ccc(OS(=O)(=O)c2ccc(N3CCNC3=O)cc2)cc1.
What is the InChIKey of (4-propoxyphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate?
The InChIKey is YOMINPJUNVTECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5S/c1-2-13-24-15-5-7-16(8-6-15)25-26(22,23)17-9-3-14(4-10-17)20-12-11-19-18(20)21/h3-10H,2,11-13H2,1H3,(H,19,21).
What are the key properties of (4-propoxyphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate?
(4-propoxyphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate has a molecular weight of 376.43 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propoxyphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate is sourced from PubChem (CID 53363857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).