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

C17H18N2O5S — CID 53363580

IUPAC(3-ethoxyphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate
SMILESCCOc1cccc(OS(=O)(=O)c2ccc(N3CCNC3=O)cc2)c1
InChIInChI=1S/C17H18N2O5S/c1-2-23-14-4-3-5-15(12-14)24-25(21,22)16-8-6-13(7-9-16)19-11-10-18-17(19)20/h3-9,12H,2,10-11H2,1H3,(H,18,20)
InChIKeyOGXNSYSFNYGCKC-UHFFFAOYSA-N
MW362.41 g/mol
LogP2.38
Rot. Bonds6

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

(3-ethoxyphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate (PubChem CID 53363580) has the molecular formula C17H18N2O5S and a molecular weight of 362.41 g/mol. Its IUPAC name is (3-ethoxyphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate.

Molecular Properties

Compound Name(3-ethoxyphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate
PubChem CID53363580
Molecular FormulaC17H18N2O5S
Molecular Weight362.41 g/mol
Exact Mass362.09
IUPAC Name(3-ethoxyphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate
SMILESCCOc1cccc(OS(=O)(=O)c2ccc(N3CCNC3=O)cc2)c1
InChIInChI=1S/C17H18N2O5S/c1-2-23-14-4-3-5-15(12-14)24-25(21,22)16-8-6-13(7-9-16)19-11-10-18-17(19)20/h3-9,12H,2,10-11H2,1H3,(H,18,20)
InChIKeyOGXNSYSFNYGCKC-UHFFFAOYSA-N
XLogP2.38
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 52.38
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
(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
(3-Methoxyphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate
CID 53363579
(3,4-Dimethoxyphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate
CID 53363681
(4-Ethoxyphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate
CID 53363856
(4-Propoxyphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate
CID 53363857
(4-Butoxyphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate
CID 53363858

Frequently Asked Questions

What is the IUPAC name of (3-ethoxyphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate?
The IUPAC name of (3-ethoxyphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate (CID 53363580) is (3-ethoxyphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate.
What is the SMILES notation for (3-ethoxyphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate?
The canonical SMILES for (3-ethoxyphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate is CCOc1cccc(OS(=O)(=O)c2ccc(N3CCNC3=O)cc2)c1.
What is the InChIKey of (3-ethoxyphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate?
The InChIKey is OGXNSYSFNYGCKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5S/c1-2-23-14-4-3-5-15(12-14)24-25(21,22)16-8-6-13(7-9-16)19-11-10-18-17(19)20/h3-9,12H,2,10-11H2,1H3,(H,18,20).
What are the key properties of (3-ethoxyphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate?
(3-ethoxyphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate has a molecular weight of 362.41 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxyphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate is sourced from PubChem (CID 53363580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).