3-(2,5-dioxo-3-phenylimidazolidin-1-yl)sulfonylbenzonitrile

C16H11N3O4S — CID 10593313

IUPAC3-(2,5-dioxo-3-phenylimidazolidin-1-yl)sulfonylbenzonitrile
SMILESN#Cc1cccc(S(=O)(=O)N2C(=O)CN(c3ccccc3)C2=O)c1
InChIInChI=1S/C16H11N3O4S/c17-10-12-5-4-8-14(9-12)24(22,23)19-15(20)11-18(16(19)21)13-6-2-1-3-7-13/h1-9H,11H2
InChIKeyYVERQXIEPUPSEH-UHFFFAOYSA-N
MW341.35 g/mol
LogP1.72
Rot. Bonds3

About 3-(2,5-dioxo-3-phenylimidazolidin-1-yl)sulfonylbenzonitrile

3-(2,5-dioxo-3-phenylimidazolidin-1-yl)sulfonylbenzonitrile (PubChem CID 10593313) has the molecular formula C16H11N3O4S and a molecular weight of 341.35 g/mol. Its IUPAC name is 3-(2,5-dioxo-3-phenylimidazolidin-1-yl)sulfonylbenzonitrile.

Molecular Properties

Compound Name3-(2,5-dioxo-3-phenylimidazolidin-1-yl)sulfonylbenzonitrile
PubChem CID10593313
Molecular FormulaC16H11N3O4S
Molecular Weight341.35 g/mol
Exact Mass341.05
IUPAC Name3-(2,5-dioxo-3-phenylimidazolidin-1-yl)sulfonylbenzonitrile
SMILESN#Cc1cccc(S(=O)(=O)N2C(=O)CN(c3ccccc3)C2=O)c1
InChIInChI=1S/C16H11N3O4S/c17-10-12-5-4-8-14(9-12)24(22,23)19-15(20)11-18(16(19)21)13-6-2-1-3-7-13/h1-9H,11H2
InChIKeyYVERQXIEPUPSEH-UHFFFAOYSA-N
XLogP1.72
TPSA98.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.35
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxo-3-phenylimidazolidin-1-yl)sulfonylbenzonitrile?
The IUPAC name of 3-(2,5-dioxo-3-phenylimidazolidin-1-yl)sulfonylbenzonitrile (CID 10593313) is 3-(2,5-dioxo-3-phenylimidazolidin-1-yl)sulfonylbenzonitrile.
What is the SMILES notation for 3-(2,5-dioxo-3-phenylimidazolidin-1-yl)sulfonylbenzonitrile?
The canonical SMILES for 3-(2,5-dioxo-3-phenylimidazolidin-1-yl)sulfonylbenzonitrile is N#Cc1cccc(S(=O)(=O)N2C(=O)CN(c3ccccc3)C2=O)c1.
What is the InChIKey of 3-(2,5-dioxo-3-phenylimidazolidin-1-yl)sulfonylbenzonitrile?
The InChIKey is YVERQXIEPUPSEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O4S/c17-10-12-5-4-8-14(9-12)24(22,23)19-15(20)11-18(16(19)21)13-6-2-1-3-7-13/h1-9H,11H2.
What are the key properties of 3-(2,5-dioxo-3-phenylimidazolidin-1-yl)sulfonylbenzonitrile?
3-(2,5-dioxo-3-phenylimidazolidin-1-yl)sulfonylbenzonitrile has a molecular weight of 341.35 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxo-3-phenylimidazolidin-1-yl)sulfonylbenzonitrile is sourced from PubChem (CID 10593313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).