2-[1-[4-(4-chlorophenoxy)phenyl]-5-[3-(2-hydroxyethoxy)phenyl]-2-oxoimidazolidin-4-yl]ethanesulfonamide

C25H26ClN3O6S — CID 69043736

IUPAC2-[1-[4-(4-chlorophenoxy)phenyl]-5-[3-(2-hydroxyethoxy)phenyl]-2-oxoimidazolidin-4-yl]ethanesulfonamide
SMILESNS(=O)(=O)CCC1NC(=O)N(c2ccc(Oc3ccc(Cl)cc3)cc2)C1c1cccc(OCCO)c1
InChIInChI=1S/C25H26ClN3O6S/c26-18-4-8-20(9-5-18)35-21-10-6-19(7-11-21)29-24(17-2-1-3-22(16-17)34-14-13-30)23(28-25(29)31)12-15-36(27,32)33/h1-11,16,23-24,30H,12-15H2,(H,28,31)(H2,27,32,33)
InChIKeyIOSDXHJAFHGRKG-UHFFFAOYSA-N
MW532.02 g/mol
LogP3.82
Rot. Bonds10

About 2-[1-[4-(4-chlorophenoxy)phenyl]-5-[3-(2-hydroxyethoxy)phenyl]-2-oxoimidazolidin-4-yl]ethanesulfonamide

2-[1-[4-(4-chlorophenoxy)phenyl]-5-[3-(2-hydroxyethoxy)phenyl]-2-oxoimidazolidin-4-yl]ethanesulfonamide (PubChem CID 69043736) has the molecular formula C25H26ClN3O6S and a molecular weight of 532.02 g/mol. Its IUPAC name is 2-[1-[4-(4-chlorophenoxy)phenyl]-5-[3-(2-hydroxyethoxy)phenyl]-2-oxoimidazolidin-4-yl]ethanesulfonamide.

Molecular Properties

Compound Name2-[1-[4-(4-chlorophenoxy)phenyl]-5-[3-(2-hydroxyethoxy)phenyl]-2-oxoimidazolidin-4-yl]ethanesulfonamide
PubChem CID69043736
Molecular FormulaC25H26ClN3O6S
Molecular Weight532.02 g/mol
Exact Mass531.12
IUPAC Name2-[1-[4-(4-chlorophenoxy)phenyl]-5-[3-(2-hydroxyethoxy)phenyl]-2-oxoimidazolidin-4-yl]ethanesulfonamide
SMILESNS(=O)(=O)CCC1NC(=O)N(c2ccc(Oc3ccc(Cl)cc3)cc2)C1c1cccc(OCCO)c1
InChIInChI=1S/C25H26ClN3O6S/c26-18-4-8-20(9-5-18)35-21-10-6-19(7-11-21)29-24(17-2-1-3-22(16-17)34-14-13-30)23(28-25(29)31)12-15-36(27,32)33/h1-11,16,23-24,30H,12-15H2,(H,28,31)(H2,27,32,33)
InChIKeyIOSDXHJAFHGRKG-UHFFFAOYSA-N
XLogP3.82
TPSA131.19 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.02
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(4-chlorophenoxy)phenyl]-5-[3-(2-hydroxyethoxy)phenyl]-2-oxoimidazolidin-4-yl]ethanesulfonamide?
The IUPAC name of 2-[1-[4-(4-chlorophenoxy)phenyl]-5-[3-(2-hydroxyethoxy)phenyl]-2-oxoimidazolidin-4-yl]ethanesulfonamide (CID 69043736) is 2-[1-[4-(4-chlorophenoxy)phenyl]-5-[3-(2-hydroxyethoxy)phenyl]-2-oxoimidazolidin-4-yl]ethanesulfonamide.
What is the SMILES notation for 2-[1-[4-(4-chlorophenoxy)phenyl]-5-[3-(2-hydroxyethoxy)phenyl]-2-oxoimidazolidin-4-yl]ethanesulfonamide?
The canonical SMILES for 2-[1-[4-(4-chlorophenoxy)phenyl]-5-[3-(2-hydroxyethoxy)phenyl]-2-oxoimidazolidin-4-yl]ethanesulfonamide is NS(=O)(=O)CCC1NC(=O)N(c2ccc(Oc3ccc(Cl)cc3)cc2)C1c1cccc(OCCO)c1.
What is the InChIKey of 2-[1-[4-(4-chlorophenoxy)phenyl]-5-[3-(2-hydroxyethoxy)phenyl]-2-oxoimidazolidin-4-yl]ethanesulfonamide?
The InChIKey is IOSDXHJAFHGRKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN3O6S/c26-18-4-8-20(9-5-18)35-21-10-6-19(7-11-21)29-24(17-2-1-3-22(16-17)34-14-13-30)23(28-25(29)31)12-15-36(27,32)33/h1-11,16,23-24,30H,12-15H2,(H,28,31)(H2,27,32,33).
What are the key properties of 2-[1-[4-(4-chlorophenoxy)phenyl]-5-[3-(2-hydroxyethoxy)phenyl]-2-oxoimidazolidin-4-yl]ethanesulfonamide?
2-[1-[4-(4-chlorophenoxy)phenyl]-5-[3-(2-hydroxyethoxy)phenyl]-2-oxoimidazolidin-4-yl]ethanesulfonamide has a molecular weight of 532.02 g/mol, XLogP of 3.82, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(4-chlorophenoxy)phenyl]-5-[3-(2-hydroxyethoxy)phenyl]-2-oxoimidazolidin-4-yl]ethanesulfonamide is sourced from PubChem (CID 69043736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).