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

C15H11BrN2O4S — CID 10524714

IUPAC3-(4-bromophenyl)sulfonyl-1-phenylimidazolidine-2,4-dione
SMILESO=C1CN(c2ccccc2)C(=O)N1S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C15H11BrN2O4S/c16-11-6-8-13(9-7-11)23(21,22)18-14(19)10-17(15(18)20)12-4-2-1-3-5-12/h1-9H,10H2
InChIKeyNQXVELVXYLJZFV-UHFFFAOYSA-N
MW395.23 g/mol
LogP2.61
Rot. Bonds3

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

3-(4-bromophenyl)sulfonyl-1-phenylimidazolidine-2,4-dione (PubChem CID 10524714) has the molecular formula C15H11BrN2O4S and a molecular weight of 395.23 g/mol. Its IUPAC name is 3-(4-bromophenyl)sulfonyl-1-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(4-bromophenyl)sulfonyl-1-phenylimidazolidine-2,4-dione
PubChem CID10524714
Molecular FormulaC15H11BrN2O4S
Molecular Weight395.23 g/mol
Exact Mass393.96
IUPAC Name3-(4-bromophenyl)sulfonyl-1-phenylimidazolidine-2,4-dione
SMILESO=C1CN(c2ccccc2)C(=O)N1S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C15H11BrN2O4S/c16-11-6-8-13(9-7-11)23(21,22)18-14(19)10-17(15(18)20)12-4-2-1-3-5-12/h1-9H,10H2
InChIKeyNQXVELVXYLJZFV-UHFFFAOYSA-N
XLogP2.61
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.23
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(4-bromophenyl)sulfonyl-1-phenylimidazolidine-2,4-dione?
The IUPAC name of 3-(4-bromophenyl)sulfonyl-1-phenylimidazolidine-2,4-dione (CID 10524714) is 3-(4-bromophenyl)sulfonyl-1-phenylimidazolidine-2,4-dione.
What is the SMILES notation for 3-(4-bromophenyl)sulfonyl-1-phenylimidazolidine-2,4-dione?
The canonical SMILES for 3-(4-bromophenyl)sulfonyl-1-phenylimidazolidine-2,4-dione is O=C1CN(c2ccccc2)C(=O)N1S(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 3-(4-bromophenyl)sulfonyl-1-phenylimidazolidine-2,4-dione?
The InChIKey is NQXVELVXYLJZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O4S/c16-11-6-8-13(9-7-11)23(21,22)18-14(19)10-17(15(18)20)12-4-2-1-3-5-12/h1-9H,10H2.
What are the key properties of 3-(4-bromophenyl)sulfonyl-1-phenylimidazolidine-2,4-dione?
3-(4-bromophenyl)sulfonyl-1-phenylimidazolidine-2,4-dione has a molecular weight of 395.23 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)sulfonyl-1-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 10524714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).