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

C17H18N2O5S — CID 53363411

IUPAC(2-ethoxyphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate
SMILESCCOc1ccccc1OS(=O)(=O)c1ccc(N2CCNC2=O)cc1
InChIInChI=1S/C17H18N2O5S/c1-2-23-15-5-3-4-6-16(15)24-25(21,22)14-9-7-13(8-10-14)19-12-11-18-17(19)20/h3-10H,2,11-12H2,1H3,(H,18,20)
InChIKeyCKZPRCFJUHPYTA-UHFFFAOYSA-N
MW362.41 g/mol
LogP2.38
Rot. Bonds6

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

(2-ethoxyphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate (PubChem CID 53363411) has the molecular formula C17H18N2O5S and a molecular weight of 362.41 g/mol. Its IUPAC name is (2-ethoxyphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate.

Molecular Properties

Compound Name(2-ethoxyphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate
PubChem CID53363411
Molecular FormulaC17H18N2O5S
Molecular Weight362.41 g/mol
Exact Mass362.09
IUPAC Name(2-ethoxyphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate
SMILESCCOc1ccccc1OS(=O)(=O)c1ccc(N2CCNC2=O)cc1
InChIInChI=1S/C17H18N2O5S/c1-2-23-15-5-3-4-6-16(15)24-25(21,22)14-9-7-13(8-10-14)19-12-11-18-17(19)20/h3-10H,2,11-12H2,1H3,(H,18,20)
InChIKeyCKZPRCFJUHPYTA-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

4-(3-(4-Butoxyphenyl)ureido)benzenesulfonamide
CID 50942416
1-Phenyl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]sulfonylurea
CID 60145776
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-(Dimethylamino)phenyl] 4-(2-oxoimidazolidin-1-yl)benzenesulfonate
CID 53363323
(2-Methoxyphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate
CID 53363410
(3-Methoxyphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate
CID 53363579
(3-Ethoxyphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate
CID 53363580
(3,4-Dimethoxyphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate
CID 53363681
(4-Ethoxyphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate
CID 53363856

Frequently Asked Questions

What is the IUPAC name of (2-ethoxyphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate?
The IUPAC name of (2-ethoxyphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate (CID 53363411) is (2-ethoxyphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate.
What is the SMILES notation for (2-ethoxyphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate?
The canonical SMILES for (2-ethoxyphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate is CCOc1ccccc1OS(=O)(=O)c1ccc(N2CCNC2=O)cc1.
What is the InChIKey of (2-ethoxyphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate?
The InChIKey is CKZPRCFJUHPYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5S/c1-2-23-15-5-3-4-6-16(15)24-25(21,22)14-9-7-13(8-10-14)19-12-11-18-17(19)20/h3-10H,2,11-12H2,1H3,(H,18,20).
What are the key properties of (2-ethoxyphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate?
(2-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 (2-ethoxyphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate is sourced from PubChem (CID 53363411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).