3-(4-nitrophenyl)sulfonyl-1-phenylimidazolidine-2,4-dione

C15H11N3O6S — CID 10689926

IUPAC3-(4-nitrophenyl)sulfonyl-1-phenylimidazolidine-2,4-dione
SMILESO=C1CN(c2ccccc2)C(=O)N1S(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H11N3O6S/c19-14-10-16(11-4-2-1-3-5-11)15(20)17(14)25(23,24)13-8-6-12(7-9-13)18(21)22/h1-9H,10H2
InChIKeyXYVDRLPWUBVVHJ-UHFFFAOYSA-N
MW361.34 g/mol
LogP1.75
Rot. Bonds4

About 3-(4-nitrophenyl)sulfonyl-1-phenylimidazolidine-2,4-dione

3-(4-nitrophenyl)sulfonyl-1-phenylimidazolidine-2,4-dione (PubChem CID 10689926) has the molecular formula C15H11N3O6S and a molecular weight of 361.34 g/mol. Its IUPAC name is 3-(4-nitrophenyl)sulfonyl-1-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(4-nitrophenyl)sulfonyl-1-phenylimidazolidine-2,4-dione
PubChem CID10689926
Molecular FormulaC15H11N3O6S
Molecular Weight361.34 g/mol
Exact Mass361.04
IUPAC Name3-(4-nitrophenyl)sulfonyl-1-phenylimidazolidine-2,4-dione
SMILESO=C1CN(c2ccccc2)C(=O)N1S(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H11N3O6S/c19-14-10-16(11-4-2-1-3-5-11)15(20)17(14)25(23,24)13-8-6-12(7-9-13)18(21)22/h1-9H,10H2
InChIKeyXYVDRLPWUBVVHJ-UHFFFAOYSA-N
XLogP1.75
TPSA117.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.34
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-nitrophenyl)sulfonyl-1-phenylimidazolidine-2,4-dione?
The IUPAC name of 3-(4-nitrophenyl)sulfonyl-1-phenylimidazolidine-2,4-dione (CID 10689926) is 3-(4-nitrophenyl)sulfonyl-1-phenylimidazolidine-2,4-dione.
What is the SMILES notation for 3-(4-nitrophenyl)sulfonyl-1-phenylimidazolidine-2,4-dione?
The canonical SMILES for 3-(4-nitrophenyl)sulfonyl-1-phenylimidazolidine-2,4-dione is O=C1CN(c2ccccc2)C(=O)N1S(=O)(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 3-(4-nitrophenyl)sulfonyl-1-phenylimidazolidine-2,4-dione?
The InChIKey is XYVDRLPWUBVVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O6S/c19-14-10-16(11-4-2-1-3-5-11)15(20)17(14)25(23,24)13-8-6-12(7-9-13)18(21)22/h1-9H,10H2.
What are the key properties of 3-(4-nitrophenyl)sulfonyl-1-phenylimidazolidine-2,4-dione?
3-(4-nitrophenyl)sulfonyl-1-phenylimidazolidine-2,4-dione has a molecular weight of 361.34 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-nitrophenyl)sulfonyl-1-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 10689926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).