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

C16H12F4N4O4S — CID 41026649

IUPAC4-amino-N-[(4R)-1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)N[C@]2(C(F)(F)F)NC(=O)N(c3ccc(F)cc3)C2=O)cc1
InChIInChI=1S/C16H12F4N4O4S/c17-9-1-5-11(6-2-9)24-13(25)15(16(18,19)20,22-14(24)26)23-29(27,28)12-7-3-10(21)4-8-12/h1-8,23H,21H2,(H,22,26)/t15-/m1/s1
InChIKeyUSZJCNVBTGVXLJ-OAHLLOKOSA-N
MW432.36 g/mol
LogP1.70
Rot. Bonds4

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

4-amino-N-[(4R)-1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide (PubChem CID 41026649) has the molecular formula C16H12F4N4O4S and a molecular weight of 432.36 g/mol. Its IUPAC name is 4-amino-N-[(4R)-1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-[(4R)-1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide
PubChem CID41026649
Molecular FormulaC16H12F4N4O4S
Molecular Weight432.36 g/mol
Exact Mass432.05
IUPAC Name4-amino-N-[(4R)-1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)N[C@]2(C(F)(F)F)NC(=O)N(c3ccc(F)cc3)C2=O)cc1
InChIInChI=1S/C16H12F4N4O4S/c17-9-1-5-11(6-2-9)24-13(25)15(16(18,19)20,22-14(24)26)23-29(27,28)12-7-3-10(21)4-8-12/h1-8,23H,21H2,(H,22,26)/t15-/m1/s1
InChIKeyUSZJCNVBTGVXLJ-OAHLLOKOSA-N
XLogP1.70
TPSA121.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.36
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(4R)-1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide?
The IUPAC name of 4-amino-N-[(4R)-1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide (CID 41026649) is 4-amino-N-[(4R)-1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-amino-N-[(4R)-1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide?
The canonical SMILES for 4-amino-N-[(4R)-1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide is Nc1ccc(S(=O)(=O)N[C@]2(C(F)(F)F)NC(=O)N(c3ccc(F)cc3)C2=O)cc1.
What is the InChIKey of 4-amino-N-[(4R)-1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide?
The InChIKey is USZJCNVBTGVXLJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H12F4N4O4S/c17-9-1-5-11(6-2-9)24-13(25)15(16(18,19)20,22-14(24)26)23-29(27,28)12-7-3-10(21)4-8-12/h1-8,23H,21H2,(H,22,26)/t15-/m1/s1.
What are the key properties of 4-amino-N-[(4R)-1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide?
4-amino-N-[(4R)-1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide has a molecular weight of 432.36 g/mol, XLogP of 1.70, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(4R)-1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 41026649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).