1-(4-chlorophenyl)sulfonyl-5-imino-3-phenyl-4-sulfanylideneimidazolidin-2-one

C15H10ClN3O3S2 — CID 134088022

IUPAC1-(4-chlorophenyl)sulfonyl-5-imino-3-phenyl-4-sulfanylideneimidazolidin-2-one
SMILES[H]/N=C1\C(=S)N(c2ccccc2)C(=O)N1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H10ClN3O3S2/c16-10-6-8-12(9-7-10)24(21,22)19-13(17)14(23)18(15(19)20)11-4-2-1-3-5-11/h1-9,17H/b17-13+
InChIKeyZCHZNRNQEUOIIY-GHRIWEEISA-N
MW379.85 g/mol
LogP3.28
Rot. Bonds3

About 1-(4-chlorophenyl)sulfonyl-5-imino-3-phenyl-4-sulfanylideneimidazolidin-2-one

1-(4-chlorophenyl)sulfonyl-5-imino-3-phenyl-4-sulfanylideneimidazolidin-2-one (PubChem CID 134088022) has the molecular formula C15H10ClN3O3S2 and a molecular weight of 379.85 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-5-imino-3-phenyl-4-sulfanylideneimidazolidin-2-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-5-imino-3-phenyl-4-sulfanylideneimidazolidin-2-one
PubChem CID134088022
Molecular FormulaC15H10ClN3O3S2
Molecular Weight379.85 g/mol
Exact Mass378.99
IUPAC Name1-(4-chlorophenyl)sulfonyl-5-imino-3-phenyl-4-sulfanylideneimidazolidin-2-one
SMILES[H]/N=C1\C(=S)N(c2ccccc2)C(=O)N1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H10ClN3O3S2/c16-10-6-8-12(9-7-10)24(21,22)19-13(17)14(23)18(15(19)20)11-4-2-1-3-5-11/h1-9,17H/b17-13+
InChIKeyZCHZNRNQEUOIIY-GHRIWEEISA-N
XLogP3.28
TPSA81.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.85
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-(4-chlorophenyl)-5-imino-3-phenyl-4-sulfanylideneimidazolidin-2-one
CID 12774190
1-(4-chlorophenyl)sulfonyl-3-(4-methoxyphenyl)-1,3-diazinane-2,4,6-trione
CID 12536368
1-(3,5-dichlorophenyl)-4-imino-5-sulfanylidene-3-(2,4,5-trichlorophenyl)imidazolidin-2-one
CID 134152144
1-(3,4-difluorophenyl)-5-imino-3-phenylimidazolidine-2,4-dione
CID 134088027
2-(4-chlorophenyl)sulfonyl-1,1-dioxo-1,2-benzothiazol-3-one
CID 3621349
(5S)-3-(4-chlorophenyl)sulfonyl-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 139711446
9-(4-chlorophenyl)sulfonyl-3-phenyl-3,9-diazabicyclo[3.3.1]nonane;9-(4-chlorophenyl)sulfonyl-3-phenyl-3,9-diazabicyclo[3.3.1]nonane-2,4-dione
CID 162032381
(5E)-5-[(4-chlorophenyl)methylidene]-2-imino-3-phenyl-1,3-thiazolidin-4-one
CID 6342893
1-(benzenesulfonyl)-3-(4-chlorophenyl)sulfonylazetidine
CID 90595145
1-(4-chlorophenyl)sulfonyl-2H-indol-3-one
CID 172633432
10-(benzenesulfonyl)-2-chlorophenothiazine
CID 1380786
2-[4-(4-chlorophenyl)sulfonyl-2-oxo-3H-quinoxalin-1-yl]acetic acid
CID 14822936

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-5-imino-3-phenyl-4-sulfanylideneimidazolidin-2-one?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-5-imino-3-phenyl-4-sulfanylideneimidazolidin-2-one (CID 134088022) is 1-(4-chlorophenyl)sulfonyl-5-imino-3-phenyl-4-sulfanylideneimidazolidin-2-one.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-5-imino-3-phenyl-4-sulfanylideneimidazolidin-2-one?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-5-imino-3-phenyl-4-sulfanylideneimidazolidin-2-one is [H]/N=C1\C(=S)N(c2ccccc2)C(=O)N1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-5-imino-3-phenyl-4-sulfanylideneimidazolidin-2-one?
The InChIKey is ZCHZNRNQEUOIIY-GHRIWEEISA-N. The full InChI is InChI=1S/C15H10ClN3O3S2/c16-10-6-8-12(9-7-10)24(21,22)19-13(17)14(23)18(15(19)20)11-4-2-1-3-5-11/h1-9,17H/b17-13+.
What are the key properties of 1-(4-chlorophenyl)sulfonyl-5-imino-3-phenyl-4-sulfanylideneimidazolidin-2-one?
1-(4-chlorophenyl)sulfonyl-5-imino-3-phenyl-4-sulfanylideneimidazolidin-2-one has a molecular weight of 379.85 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-5-imino-3-phenyl-4-sulfanylideneimidazolidin-2-one is sourced from PubChem (CID 134088022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).