2-[1-(4-chlorophenyl)-2-oxo-5-(3-pyridazin-3-yloxyphenyl)imidazolidin-4-yl]ethanesulfonamide

C21H20ClN5O4S — CID 69047508

IUPAC2-[1-(4-chlorophenyl)-2-oxo-5-(3-pyridazin-3-yloxyphenyl)imidazolidin-4-yl]ethanesulfonamide
SMILESNS(=O)(=O)CCC1NC(=O)N(c2ccc(Cl)cc2)C1c1cccc(Oc2cccnn2)c1
InChIInChI=1S/C21H20ClN5O4S/c22-15-6-8-16(9-7-15)27-20(18(25-21(27)28)10-12-32(23,29)30)14-3-1-4-17(13-14)31-19-5-2-11-24-26-19/h1-9,11,13,18,20H,10,12H2,(H,25,28)(H2,23,29,30)
InChIKeyZEFABTUIQBUIKJ-UHFFFAOYSA-N
MW473.94 g/mol
LogP3.24
Rot. Bonds7

About 2-[1-(4-chlorophenyl)-2-oxo-5-(3-pyridazin-3-yloxyphenyl)imidazolidin-4-yl]ethanesulfonamide

2-[1-(4-chlorophenyl)-2-oxo-5-(3-pyridazin-3-yloxyphenyl)imidazolidin-4-yl]ethanesulfonamide (PubChem CID 69047508) has the molecular formula C21H20ClN5O4S and a molecular weight of 473.94 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)-2-oxo-5-(3-pyridazin-3-yloxyphenyl)imidazolidin-4-yl]ethanesulfonamide.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)-2-oxo-5-(3-pyridazin-3-yloxyphenyl)imidazolidin-4-yl]ethanesulfonamide
PubChem CID69047508
Molecular FormulaC21H20ClN5O4S
Molecular Weight473.94 g/mol
Exact Mass473.09
IUPAC Name2-[1-(4-chlorophenyl)-2-oxo-5-(3-pyridazin-3-yloxyphenyl)imidazolidin-4-yl]ethanesulfonamide
SMILESNS(=O)(=O)CCC1NC(=O)N(c2ccc(Cl)cc2)C1c1cccc(Oc2cccnn2)c1
InChIInChI=1S/C21H20ClN5O4S/c22-15-6-8-16(9-7-15)27-20(18(25-21(27)28)10-12-32(23,29)30)14-3-1-4-17(13-14)31-19-5-2-11-24-26-19/h1-9,11,13,18,20H,10,12H2,(H,25,28)(H2,23,29,30)
InChIKeyZEFABTUIQBUIKJ-UHFFFAOYSA-N
XLogP3.24
TPSA127.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.94
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(4-chlorophenyl)-5-[3-(2-hydroxyethoxy)phenyl]-2-oxoimidazolidin-4-yl]ethanesulfonamide
CID 69044458
2-[1-[4-(4-chlorophenoxy)phenyl]-5-[3-(2-hydroxyethoxy)phenyl]-2-oxoimidazolidin-4-yl]ethanesulfonamide
CID 69043736
(4S)-3-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)-4-(3-pyridazin-3-yloxyphenyl)imidazolidin-2-one
CID 59486046
2-[3-(4-chlorophenyl)-2-oxo-4-(3-pyridazin-3-yloxyphenyl)imidazolidin-1-yl]ethanesulfinamide
CID 143702835
1-(4-aminosulfanylphenyl)-3-(4-chlorophenyl)-4-(3-pyridazin-3-yloxyphenyl)imidazolidin-2-one
CID 143702696
3-(4-chlorophenoxy)pyridazine
CID 54052757
3-(4-chlorophenyl)-1-(2-methylsulfonylethyl)-4-(3-pyridin-2-yloxyphenyl)imidazolidin-2-one
CID 59485876
(2R,6R)-2-methyl-6-(3-pyridazin-3-yloxyphenyl)morpholine
CID 171653267
(5S)-1-[4-(4-chlorophenoxy)phenyl]-5-(3-pyrazin-2-yloxyphenyl)imidazolidin-2-one
CID 59485739
(4S)-3-[4-(4-chlorophenoxy)phenyl]-1-(2-methylsulfonylethyl)-4-(3-pyrazin-2-yloxyphenyl)imidazolidin-2-one
CID 59485933
(4S)-3-(4-chlorophenyl)-1-(2-piperazin-1-ylsulfonylethyl)-4-(3-pyrazin-2-yloxyphenyl)imidazolidin-2-one
CID 59486010
3-(4-chlorophenyl)-1-iodo-4-(3-pyrazin-2-yloxyphenyl)imidazolidin-2-one
CID 87671627

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)-2-oxo-5-(3-pyridazin-3-yloxyphenyl)imidazolidin-4-yl]ethanesulfonamide?
The IUPAC name of 2-[1-(4-chlorophenyl)-2-oxo-5-(3-pyridazin-3-yloxyphenyl)imidazolidin-4-yl]ethanesulfonamide (CID 69047508) is 2-[1-(4-chlorophenyl)-2-oxo-5-(3-pyridazin-3-yloxyphenyl)imidazolidin-4-yl]ethanesulfonamide.
What is the SMILES notation for 2-[1-(4-chlorophenyl)-2-oxo-5-(3-pyridazin-3-yloxyphenyl)imidazolidin-4-yl]ethanesulfonamide?
The canonical SMILES for 2-[1-(4-chlorophenyl)-2-oxo-5-(3-pyridazin-3-yloxyphenyl)imidazolidin-4-yl]ethanesulfonamide is NS(=O)(=O)CCC1NC(=O)N(c2ccc(Cl)cc2)C1c1cccc(Oc2cccnn2)c1.
What is the InChIKey of 2-[1-(4-chlorophenyl)-2-oxo-5-(3-pyridazin-3-yloxyphenyl)imidazolidin-4-yl]ethanesulfonamide?
The InChIKey is ZEFABTUIQBUIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN5O4S/c22-15-6-8-16(9-7-15)27-20(18(25-21(27)28)10-12-32(23,29)30)14-3-1-4-17(13-14)31-19-5-2-11-24-26-19/h1-9,11,13,18,20H,10,12H2,(H,25,28)(H2,23,29,30).
What are the key properties of 2-[1-(4-chlorophenyl)-2-oxo-5-(3-pyridazin-3-yloxyphenyl)imidazolidin-4-yl]ethanesulfonamide?
2-[1-(4-chlorophenyl)-2-oxo-5-(3-pyridazin-3-yloxyphenyl)imidazolidin-4-yl]ethanesulfonamide has a molecular weight of 473.94 g/mol, XLogP of 3.24, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)-2-oxo-5-(3-pyridazin-3-yloxyphenyl)imidazolidin-4-yl]ethanesulfonamide is sourced from PubChem (CID 69047508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).