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

C18H15ClF3N3O4S — CID 3741971

IUPAC4-chloro-N-[2,5-dioxo-1-(2-phenylethyl)-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide
SMILESO=C1NC(NS(=O)(=O)c2ccc(Cl)cc2)(C(F)(F)F)C(=O)N1CCc1ccccc1
InChIInChI=1S/C18H15ClF3N3O4S/c19-13-6-8-14(9-7-13)30(28,29)24-17(18(20,21)22)15(26)25(16(27)23-17)11-10-12-4-2-1-3-5-12/h1-9,24H,10-11H2,(H,23,27)
InChIKeyOCCPPQMHZSUDSR-UHFFFAOYSA-N
MW461.85 g/mol
LogP2.67
Rot. Bonds6

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

4-chloro-N-[2,5-dioxo-1-(2-phenylethyl)-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide (PubChem CID 3741971) has the molecular formula C18H15ClF3N3O4S and a molecular weight of 461.85 g/mol. Its IUPAC name is 4-chloro-N-[2,5-dioxo-1-(2-phenylethyl)-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[2,5-dioxo-1-(2-phenylethyl)-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide
PubChem CID3741971
Molecular FormulaC18H15ClF3N3O4S
Molecular Weight461.85 g/mol
Exact Mass461.04
IUPAC Name4-chloro-N-[2,5-dioxo-1-(2-phenylethyl)-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide
SMILESO=C1NC(NS(=O)(=O)c2ccc(Cl)cc2)(C(F)(F)F)C(=O)N1CCc1ccccc1
InChIInChI=1S/C18H15ClF3N3O4S/c19-13-6-8-14(9-7-13)30(28,29)24-17(18(20,21)22)15(26)25(16(27)23-17)11-10-12-4-2-1-3-5-12/h1-9,24H,10-11H2,(H,23,27)
InChIKeyOCCPPQMHZSUDSR-UHFFFAOYSA-N
XLogP2.67
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.85
LogP ≤ 52.67
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 4-chloro-N-[2,5-dioxo-1-(2-phenylethyl)-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[2,5-dioxo-1-(2-phenylethyl)-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide (CID 3741971) is 4-chloro-N-[2,5-dioxo-1-(2-phenylethyl)-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[2,5-dioxo-1-(2-phenylethyl)-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[2,5-dioxo-1-(2-phenylethyl)-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide is O=C1NC(NS(=O)(=O)c2ccc(Cl)cc2)(C(F)(F)F)C(=O)N1CCc1ccccc1.
What is the InChIKey of 4-chloro-N-[2,5-dioxo-1-(2-phenylethyl)-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide?
The InChIKey is OCCPPQMHZSUDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClF3N3O4S/c19-13-6-8-14(9-7-13)30(28,29)24-17(18(20,21)22)15(26)25(16(27)23-17)11-10-12-4-2-1-3-5-12/h1-9,24H,10-11H2,(H,23,27).
What are the key properties of 4-chloro-N-[2,5-dioxo-1-(2-phenylethyl)-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide?
4-chloro-N-[2,5-dioxo-1-(2-phenylethyl)-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide has a molecular weight of 461.85 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2,5-dioxo-1-(2-phenylethyl)-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 3741971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).