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

C21H20ClN5O3S — CID 143702835

IUPAC2-[3-(4-chlorophenyl)-2-oxo-4-(3-pyridazin-3-yloxyphenyl)imidazolidin-1-yl]ethanesulfinamide
SMILESNS(=O)CCN1CC(c2cccc(Oc3cccnn3)c2)N(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C21H20ClN5O3S/c22-16-6-8-17(9-7-16)27-19(14-26(21(27)28)11-12-31(23)29)15-3-1-4-18(13-15)30-20-5-2-10-24-25-20/h1-10,13,19H,11-12,14,23H2
InChIKeyJONNHBKAAIEIKP-UHFFFAOYSA-N
MW457.94 g/mol
LogP3.53
Rot. Bonds7

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

2-[3-(4-chlorophenyl)-2-oxo-4-(3-pyridazin-3-yloxyphenyl)imidazolidin-1-yl]ethanesulfinamide (PubChem CID 143702835) has the molecular formula C21H20ClN5O3S and a molecular weight of 457.94 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)-2-oxo-4-(3-pyridazin-3-yloxyphenyl)imidazolidin-1-yl]ethanesulfinamide.

Molecular Properties

Compound Name2-[3-(4-chlorophenyl)-2-oxo-4-(3-pyridazin-3-yloxyphenyl)imidazolidin-1-yl]ethanesulfinamide
PubChem CID143702835
Molecular FormulaC21H20ClN5O3S
Molecular Weight457.94 g/mol
Exact Mass457.10
IUPAC Name2-[3-(4-chlorophenyl)-2-oxo-4-(3-pyridazin-3-yloxyphenyl)imidazolidin-1-yl]ethanesulfinamide
SMILESNS(=O)CCN1CC(c2cccc(Oc3cccnn3)c2)N(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C21H20ClN5O3S/c22-16-6-8-17(9-7-16)27-19(14-26(21(27)28)11-12-31(23)29)15-3-1-4-18(13-15)30-20-5-2-10-24-25-20/h1-10,13,19H,11-12,14,23H2
InChIKeyJONNHBKAAIEIKP-UHFFFAOYSA-N
XLogP3.53
TPSA101.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.94
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-aminosulfanylphenyl)-3-(4-chlorophenyl)-4-(3-pyridazin-3-yloxyphenyl)imidazolidin-2-one
CID 143702696
(4S)-3-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)-4-(3-pyridazin-3-yloxyphenyl)imidazolidin-2-one
CID 59486046
3-(4-chlorophenyl)-1-(2-methylsulfonylethyl)-4-(3-pyridin-2-yloxyphenyl)imidazolidin-2-one
CID 59485876
(4S)-3-[4-(4-chlorophenoxy)phenyl]-1-(2-methylsulfonylethyl)-4-(3-pyrazin-2-yloxyphenyl)imidazolidin-2-one
CID 59485933
3-(4-chlorophenyl)-4-[3-(4-methoxyphenoxy)phenyl]-1-(2-methylsulfonylethyl)imidazolidin-2-one
CID 59485762
(4S)-3-(4-chlorophenyl)-1-(2-piperazin-1-ylsulfonylethyl)-4-(3-pyrazin-2-yloxyphenyl)imidazolidin-2-one
CID 59486010
2-[1-(4-chlorophenyl)-2-oxo-5-(3-pyridazin-3-yloxyphenyl)imidazolidin-4-yl]ethanesulfonamide
CID 69047508
(4S)-3-(4-chlorophenyl)-4-[3-(3-ethylpyrazin-2-yl)oxyphenyl]-1-(2-methylsulfonylethyl)imidazolidin-2-one
CID 59485903
3-(4-chlorophenyl)-1-iodo-4-(3-pyrazin-2-yloxyphenyl)imidazolidin-2-one
CID 87671627
3-[(4S)-3-[4-(4-chlorophenoxy)phenyl]-2-oxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]propanamide
CID 59485935
3-(4-chlorophenyl)-4-[3-(2-hydroxyethoxy)phenyl]-1-(2-methylsulfonylethyl)imidazolidin-2-one
CID 68703096
(4S)-3-(4-chlorophenyl)-4-[3-(2-hydroxyethoxy)phenyl]-1-(2-methylsulfonylethyl)imidazolidin-2-one
CID 59485652

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenyl)-2-oxo-4-(3-pyridazin-3-yloxyphenyl)imidazolidin-1-yl]ethanesulfinamide?
The IUPAC name of 2-[3-(4-chlorophenyl)-2-oxo-4-(3-pyridazin-3-yloxyphenyl)imidazolidin-1-yl]ethanesulfinamide (CID 143702835) is 2-[3-(4-chlorophenyl)-2-oxo-4-(3-pyridazin-3-yloxyphenyl)imidazolidin-1-yl]ethanesulfinamide.
What is the SMILES notation for 2-[3-(4-chlorophenyl)-2-oxo-4-(3-pyridazin-3-yloxyphenyl)imidazolidin-1-yl]ethanesulfinamide?
The canonical SMILES for 2-[3-(4-chlorophenyl)-2-oxo-4-(3-pyridazin-3-yloxyphenyl)imidazolidin-1-yl]ethanesulfinamide is NS(=O)CCN1CC(c2cccc(Oc3cccnn3)c2)N(c2ccc(Cl)cc2)C1=O.
What is the InChIKey of 2-[3-(4-chlorophenyl)-2-oxo-4-(3-pyridazin-3-yloxyphenyl)imidazolidin-1-yl]ethanesulfinamide?
The InChIKey is JONNHBKAAIEIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN5O3S/c22-16-6-8-17(9-7-16)27-19(14-26(21(27)28)11-12-31(23)29)15-3-1-4-18(13-15)30-20-5-2-10-24-25-20/h1-10,13,19H,11-12,14,23H2.
What are the key properties of 2-[3-(4-chlorophenyl)-2-oxo-4-(3-pyridazin-3-yloxyphenyl)imidazolidin-1-yl]ethanesulfinamide?
2-[3-(4-chlorophenyl)-2-oxo-4-(3-pyridazin-3-yloxyphenyl)imidazolidin-1-yl]ethanesulfinamide has a molecular weight of 457.94 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chlorophenyl)-2-oxo-4-(3-pyridazin-3-yloxyphenyl)imidazolidin-1-yl]ethanesulfinamide is sourced from PubChem (CID 143702835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).