N-[1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide

C16H11F4N3O4S — CID 4543616

IUPACN-[1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide
SMILESO=C1NC(NS(=O)(=O)c2ccccc2)(C(F)(F)F)C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C16H11F4N3O4S/c17-10-6-8-11(9-7-10)23-13(24)15(16(18,19)20,21-14(23)25)22-28(26,27)12-4-2-1-3-5-12/h1-9,22H,(H,21,25)
InChIKeyJJFYLPNAILKACD-UHFFFAOYSA-N
MW417.34 g/mol
LogP2.12
Rot. Bonds4

About N-[1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide

N-[1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide (PubChem CID 4543616) has the molecular formula C16H11F4N3O4S and a molecular weight of 417.34 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide
PubChem CID4543616
Molecular FormulaC16H11F4N3O4S
Molecular Weight417.34 g/mol
Exact Mass417.04
IUPAC NameN-[1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide
SMILESO=C1NC(NS(=O)(=O)c2ccccc2)(C(F)(F)F)C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C16H11F4N3O4S/c17-10-6-8-11(9-7-10)23-13(24)15(16(18,19)20,21-14(23)25)22-28(26,27)12-4-2-1-3-5-12/h1-9,22H,(H,21,25)
InChIKeyJJFYLPNAILKACD-UHFFFAOYSA-N
XLogP2.12
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.34
LogP ≤ 52.12
H-Bond Donors ≤ 52
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 N-[1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide?
The IUPAC name of N-[1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide (CID 4543616) is N-[1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide?
The canonical SMILES for N-[1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide is O=C1NC(NS(=O)(=O)c2ccccc2)(C(F)(F)F)C(=O)N1c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide?
The InChIKey is JJFYLPNAILKACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F4N3O4S/c17-10-6-8-11(9-7-10)23-13(24)15(16(18,19)20,21-14(23)25)22-28(26,27)12-4-2-1-3-5-12/h1-9,22H,(H,21,25).
What are the key properties of N-[1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide?
N-[1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide has a molecular weight of 417.34 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 4543616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).