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

C19H22ClN3O5S — CID 69044458

IUPAC2-[1-(4-chlorophenyl)-5-[3-(2-hydroxyethoxy)phenyl]-2-oxoimidazolidin-4-yl]ethanesulfonamide
SMILESNS(=O)(=O)CCC1NC(=O)N(c2ccc(Cl)cc2)C1c1cccc(OCCO)c1
InChIInChI=1S/C19H22ClN3O5S/c20-14-4-6-15(7-5-14)23-18(13-2-1-3-16(12-13)28-10-9-24)17(22-19(23)25)8-11-29(21,26)27/h1-7,12,17-18,24H,8-11H2,(H,22,25)(H2,21,26,27)
InChIKeyQCQNNOMJUFRHQZ-UHFFFAOYSA-N
MW439.92 g/mol
LogP2.03
Rot. Bonds8

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

2-[1-(4-chlorophenyl)-5-[3-(2-hydroxyethoxy)phenyl]-2-oxoimidazolidin-4-yl]ethanesulfonamide (PubChem CID 69044458) has the molecular formula C19H22ClN3O5S and a molecular weight of 439.92 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)-5-[3-(2-hydroxyethoxy)phenyl]-2-oxoimidazolidin-4-yl]ethanesulfonamide.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)-5-[3-(2-hydroxyethoxy)phenyl]-2-oxoimidazolidin-4-yl]ethanesulfonamide
PubChem CID69044458
Molecular FormulaC19H22ClN3O5S
Molecular Weight439.92 g/mol
Exact Mass439.10
IUPAC Name2-[1-(4-chlorophenyl)-5-[3-(2-hydroxyethoxy)phenyl]-2-oxoimidazolidin-4-yl]ethanesulfonamide
SMILESNS(=O)(=O)CCC1NC(=O)N(c2ccc(Cl)cc2)C1c1cccc(OCCO)c1
InChIInChI=1S/C19H22ClN3O5S/c20-14-4-6-15(7-5-14)23-18(13-2-1-3-16(12-13)28-10-9-24)17(22-19(23)25)8-11-29(21,26)27/h1-7,12,17-18,24H,8-11H2,(H,22,25)(H2,21,26,27)
InChIKeyQCQNNOMJUFRHQZ-UHFFFAOYSA-N
XLogP2.03
TPSA121.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.92
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[4-(4-chlorophenoxy)phenyl]-5-[3-(2-hydroxyethoxy)phenyl]-2-oxoimidazolidin-4-yl]ethanesulfonamide
CID 69043736
2-[1-(4-chlorophenyl)-2-oxo-5-(3-pyridazin-3-yloxyphenyl)imidazolidin-4-yl]ethanesulfonamide
CID 69047508
(4S)-3-(4-chlorophenyl)-4-[3-(2-hydroxyethoxy)phenyl]-1-(2-methylsulfonylethyl)imidazolidin-2-one
CID 59485652
3-(4-chlorophenyl)-4-[3-(2-hydroxyethoxy)phenyl]-1-(2-methylsulfonylethyl)imidazolidin-2-one
CID 68703096
4-[(3E)-3-[(4-chlorophenyl)-hydroxymethylidene]-2-(3-methoxyphenyl)-4,5-dioxopyrrolidin-1-yl]benzenesulfonamide
CID 108699516
2-[3-[(2R)-1-(4-chlorophenyl)-5-oxopyrrolidin-2-yl]phenoxy]acetonitrile
CID 59485674
(4Z)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-phenyl-5-(3-phenylmethoxyphenyl)pyrrolidine-2,3-dione
CID 108712566
2-(4-chlorophenoxy)ethanol;methanesulfonic acid
CID 71365177
(4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(3-methoxyphenyl)-1-(3-propoxyphenyl)pyrrolidine-2,3-dione
CID 108666202
(4Z)-4-[(3,4-dichlorophenyl)-hydroxymethylidene]-5-[3-(2-hydroxyethoxy)phenyl]-1-propylpyrrolidine-2,3-dione
CID 108664906
(3R,4R)-3-amino-4-(3-chlorophenyl)-1-(4-chlorophenyl)azetidin-2-one
CID 124504101
2-[3-(oxan-4-yl)phenoxy]ethanol
CID 115033332

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)-5-[3-(2-hydroxyethoxy)phenyl]-2-oxoimidazolidin-4-yl]ethanesulfonamide?
The IUPAC name of 2-[1-(4-chlorophenyl)-5-[3-(2-hydroxyethoxy)phenyl]-2-oxoimidazolidin-4-yl]ethanesulfonamide (CID 69044458) is 2-[1-(4-chlorophenyl)-5-[3-(2-hydroxyethoxy)phenyl]-2-oxoimidazolidin-4-yl]ethanesulfonamide.
What is the SMILES notation for 2-[1-(4-chlorophenyl)-5-[3-(2-hydroxyethoxy)phenyl]-2-oxoimidazolidin-4-yl]ethanesulfonamide?
The canonical SMILES for 2-[1-(4-chlorophenyl)-5-[3-(2-hydroxyethoxy)phenyl]-2-oxoimidazolidin-4-yl]ethanesulfonamide is NS(=O)(=O)CCC1NC(=O)N(c2ccc(Cl)cc2)C1c1cccc(OCCO)c1.
What is the InChIKey of 2-[1-(4-chlorophenyl)-5-[3-(2-hydroxyethoxy)phenyl]-2-oxoimidazolidin-4-yl]ethanesulfonamide?
The InChIKey is QCQNNOMJUFRHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O5S/c20-14-4-6-15(7-5-14)23-18(13-2-1-3-16(12-13)28-10-9-24)17(22-19(23)25)8-11-29(21,26)27/h1-7,12,17-18,24H,8-11H2,(H,22,25)(H2,21,26,27).
What are the key properties of 2-[1-(4-chlorophenyl)-5-[3-(2-hydroxyethoxy)phenyl]-2-oxoimidazolidin-4-yl]ethanesulfonamide?
2-[1-(4-chlorophenyl)-5-[3-(2-hydroxyethoxy)phenyl]-2-oxoimidazolidin-4-yl]ethanesulfonamide has a molecular weight of 439.92 g/mol, XLogP of 2.03, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)-5-[3-(2-hydroxyethoxy)phenyl]-2-oxoimidazolidin-4-yl]ethanesulfonamide is sourced from PubChem (CID 69044458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).