1-(4-morpholin-4-ylphenyl)-3-(4-nitrophenyl)-4-oxoimidazolidine-2-sulfonic acid

C19H20N4O7S — CID 174467647

IUPAC1-(4-morpholin-4-ylphenyl)-3-(4-nitrophenyl)-4-oxoimidazolidine-2-sulfonic acid
SMILESO=C1CN(c2ccc(N3CCOCC3)cc2)C(S(=O)(=O)O)N1c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H20N4O7S/c24-18-13-21(15-3-1-14(2-4-15)20-9-11-30-12-10-20)19(31(27,28)29)22(18)16-5-7-17(8-6-16)23(25)26/h1-8,19H,9-13H2,(H,27,28,29)
InChIKeyYOWUYHIYJKAEOQ-UHFFFAOYSA-N
MW448.46 g/mol
LogP1.46
Rot. Bonds5

About 1-(4-morpholin-4-ylphenyl)-3-(4-nitrophenyl)-4-oxoimidazolidine-2-sulfonic acid

1-(4-morpholin-4-ylphenyl)-3-(4-nitrophenyl)-4-oxoimidazolidine-2-sulfonic acid (PubChem CID 174467647) has the molecular formula C19H20N4O7S and a molecular weight of 448.46 g/mol. Its IUPAC name is 1-(4-morpholin-4-ylphenyl)-3-(4-nitrophenyl)-4-oxoimidazolidine-2-sulfonic acid.

Molecular Properties

Compound Name1-(4-morpholin-4-ylphenyl)-3-(4-nitrophenyl)-4-oxoimidazolidine-2-sulfonic acid
PubChem CID174467647
Molecular FormulaC19H20N4O7S
Molecular Weight448.46 g/mol
Exact Mass448.11
IUPAC Name1-(4-morpholin-4-ylphenyl)-3-(4-nitrophenyl)-4-oxoimidazolidine-2-sulfonic acid
SMILESO=C1CN(c2ccc(N3CCOCC3)cc2)C(S(=O)(=O)O)N1c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H20N4O7S/c24-18-13-21(15-3-1-14(2-4-15)20-9-11-30-12-10-20)19(31(27,28)29)22(18)16-5-7-17(8-6-16)23(25)26/h1-8,19H,9-13H2,(H,27,28,29)
InChIKeyYOWUYHIYJKAEOQ-UHFFFAOYSA-N
XLogP1.46
TPSA133.53 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.46
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

1-(4-morpholin-4-ylphenyl)-4-oxo-3-prop-2-enylimidazolidine-2-sulfonic acid
CID 174455196
ethane;methanol;4-(4-nitrophenyl)morpholine
CID 177318557
1-(4-morpholin-4-ylphenyl)-3-(4-nitrophenyl)prop-2-en-1-one
CID 4559641
4-(4-nitrophenyl)sulfonyl-1-(oxan-4-yl)piperazin-2-one
CID 67085165
2-methyl-4-(4-nitrophenyl)morpholine
CID 71113420
N-[(4-morpholin-4-ylphenyl)methylideneamino]-4-nitroaniline
CID 4061939
(2S)-4-(4-nitrophenyl)morpholine-2-carboxamide
CID 94375145
1-(4-nitrophenyl)piperidin-4-amine
CID 12050747
1-(8-chloronaphthalen-1-yl)sulfonyl-4-(4-nitrophenyl)piperazine;1,4-dioxane
CID 18531617
2-[methyl-[2-(4-nitroanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 55354340
N-[1-(4-morpholin-4-ylphenyl)ethylideneamino]-4-nitrobenzamide
CID 3959978
(2R)-3-(4-morpholin-4-ylphenyl)-2-(3-nitrophenyl)-1,2-dihydroquinazolin-4-one
CID 41064449

Frequently Asked Questions

What is the IUPAC name of 1-(4-morpholin-4-ylphenyl)-3-(4-nitrophenyl)-4-oxoimidazolidine-2-sulfonic acid?
The IUPAC name of 1-(4-morpholin-4-ylphenyl)-3-(4-nitrophenyl)-4-oxoimidazolidine-2-sulfonic acid (CID 174467647) is 1-(4-morpholin-4-ylphenyl)-3-(4-nitrophenyl)-4-oxoimidazolidine-2-sulfonic acid.
What is the SMILES notation for 1-(4-morpholin-4-ylphenyl)-3-(4-nitrophenyl)-4-oxoimidazolidine-2-sulfonic acid?
The canonical SMILES for 1-(4-morpholin-4-ylphenyl)-3-(4-nitrophenyl)-4-oxoimidazolidine-2-sulfonic acid is O=C1CN(c2ccc(N3CCOCC3)cc2)C(S(=O)(=O)O)N1c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 1-(4-morpholin-4-ylphenyl)-3-(4-nitrophenyl)-4-oxoimidazolidine-2-sulfonic acid?
The InChIKey is YOWUYHIYJKAEOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O7S/c24-18-13-21(15-3-1-14(2-4-15)20-9-11-30-12-10-20)19(31(27,28)29)22(18)16-5-7-17(8-6-16)23(25)26/h1-8,19H,9-13H2,(H,27,28,29).
What are the key properties of 1-(4-morpholin-4-ylphenyl)-3-(4-nitrophenyl)-4-oxoimidazolidine-2-sulfonic acid?
1-(4-morpholin-4-ylphenyl)-3-(4-nitrophenyl)-4-oxoimidazolidine-2-sulfonic acid has a molecular weight of 448.46 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-morpholin-4-ylphenyl)-3-(4-nitrophenyl)-4-oxoimidazolidine-2-sulfonic acid is sourced from PubChem (CID 174467647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).