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

C16H10ClF4N3O4S — CID 3995576

IUPAC4-chloro-N-[1-(2-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide
SMILESO=C1NC(NS(=O)(=O)c2ccc(Cl)cc2)(C(F)(F)F)C(=O)N1c1ccccc1F
InChIInChI=1S/C16H10ClF4N3O4S/c17-9-5-7-10(8-6-9)29(27,28)23-15(16(19,20)21)13(25)24(14(26)22-15)12-4-2-1-3-11(12)18/h1-8,23H,(H,22,26)
InChIKeyOEYRFUAXTIFXIJ-UHFFFAOYSA-N
MW451.79 g/mol
LogP2.77
Rot. Bonds4

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

4-chloro-N-[1-(2-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide (PubChem CID 3995576) has the molecular formula C16H10ClF4N3O4S and a molecular weight of 451.79 g/mol. Its IUPAC name is 4-chloro-N-[1-(2-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[1-(2-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide
PubChem CID3995576
Molecular FormulaC16H10ClF4N3O4S
Molecular Weight451.79 g/mol
Exact Mass451.00
IUPAC Name4-chloro-N-[1-(2-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide
SMILESO=C1NC(NS(=O)(=O)c2ccc(Cl)cc2)(C(F)(F)F)C(=O)N1c1ccccc1F
InChIInChI=1S/C16H10ClF4N3O4S/c17-9-5-7-10(8-6-9)29(27,28)23-15(16(19,20)21)13(25)24(14(26)22-15)12-4-2-1-3-11(12)18/h1-8,23H,(H,22,26)
InChIKeyOEYRFUAXTIFXIJ-UHFFFAOYSA-N
XLogP2.77
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.79
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(4-chlorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-methylbenzenesulfonamide
CID 46500675
N-[(4R)-1-(4-chlorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-methylbenzenesulfonamide
CID 92651708
4-amino-N-[(4R)-1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide
CID 41026649
N-[4-[[1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]sulfamoyl]phenyl]acetamide
CID 16764158
4-amino-N-[1-(3,4-dimethylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide
CID 16764162
N-[(4R)-1-(2-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-3-carboxamide
CID 2217039
4-chloro-N-[(4R)-2,5-dioxo-1-phenyl-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
CID 42559353
N-[4-[[(4R)-1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]sulfamoyl]phenyl]acetamide
CID 2220238
3-(2-fluorophenyl)-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 64889036
4-chloro-N-[(4S)-1-(4-methylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
CID 2041429
N-[1-(3-chloro-2-methylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]cyclopropanecarboxamide
CID 16764290
3'-(2-fluorophenyl)spiro[1-azabicyclo[2.2.2]octane-3,5'-imidazolidine]-2',4'-dione
CID 58792070

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(2-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[1-(2-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide (CID 3995576) is 4-chloro-N-[1-(2-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[1-(2-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[1-(2-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide is O=C1NC(NS(=O)(=O)c2ccc(Cl)cc2)(C(F)(F)F)C(=O)N1c1ccccc1F.
What is the InChIKey of 4-chloro-N-[1-(2-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide?
The InChIKey is OEYRFUAXTIFXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF4N3O4S/c17-9-5-7-10(8-6-9)29(27,28)23-15(16(19,20)21)13(25)24(14(26)22-15)12-4-2-1-3-11(12)18/h1-8,23H,(H,22,26).
What are the key properties of 4-chloro-N-[1-(2-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide?
4-chloro-N-[1-(2-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide has a molecular weight of 451.79 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(2-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 3995576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).