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

C17H13F4N3O4S — CID 4650833

IUPACN-[1-(2-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2(C(F)(F)F)NC(=O)N(c3ccccc3F)C2=O)cc1
InChIInChI=1S/C17H13F4N3O4S/c1-10-6-8-11(9-7-10)29(27,28)23-16(17(19,20)21)14(25)24(15(26)22-16)13-5-3-2-4-12(13)18/h2-9,23H,1H3,(H,22,26)
InChIKeyULVALYAYYZUZCL-UHFFFAOYSA-N
MW431.37 g/mol
LogP2.43
Rot. Bonds4

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

N-[1-(2-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-methylbenzenesulfonamide (PubChem CID 4650833) has the molecular formula C17H13F4N3O4S and a molecular weight of 431.37 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-methylbenzenesulfonamide
PubChem CID4650833
Molecular FormulaC17H13F4N3O4S
Molecular Weight431.37 g/mol
Exact Mass431.06
IUPAC NameN-[1-(2-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2(C(F)(F)F)NC(=O)N(c3ccccc3F)C2=O)cc1
InChIInChI=1S/C17H13F4N3O4S/c1-10-6-8-11(9-7-10)29(27,28)23-16(17(19,20)21)14(25)24(15(26)22-16)13-5-3-2-4-12(13)18/h2-9,23H,1H3,(H,22,26)
InChIKeyULVALYAYYZUZCL-UHFFFAOYSA-N
XLogP2.43
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.37
LogP ≤ 52.43
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-(2-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[1-(2-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-methylbenzenesulfonamide (CID 4650833) is N-[1-(2-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[1-(2-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[1-(2-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC2(C(F)(F)F)NC(=O)N(c3ccccc3F)C2=O)cc1.
What is the InChIKey of N-[1-(2-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-methylbenzenesulfonamide?
The InChIKey is ULVALYAYYZUZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F4N3O4S/c1-10-6-8-11(9-7-10)29(27,28)23-16(17(19,20)21)14(25)24(15(26)22-16)13-5-3-2-4-12(13)18/h2-9,23H,1H3,(H,22,26).
What are the key properties of N-[1-(2-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-methylbenzenesulfonamide?
N-[1-(2-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-methylbenzenesulfonamide has a molecular weight of 431.37 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 4650833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).