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

C17H15F3N4O4S — CID 5295050

IUPAC4-amino-N-[1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)NC2(C(F)(F)F)NC(=O)N(Cc3ccccc3)C2=O)cc1
InChIInChI=1S/C17H15F3N4O4S/c18-17(19,20)16(23-29(27,28)13-8-6-12(21)7-9-13)14(25)24(15(26)22-16)10-11-4-2-1-3-5-11/h1-9,23H,10,21H2,(H,22,26)
InChIKeyGZBWIJWWJQMZDW-UHFFFAOYSA-N
MW428.39 g/mol
LogP1.56
Rot. Bonds5

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

4-amino-N-[1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide (PubChem CID 5295050) has the molecular formula C17H15F3N4O4S and a molecular weight of 428.39 g/mol. Its IUPAC name is 4-amino-N-[1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-[1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide
PubChem CID5295050
Molecular FormulaC17H15F3N4O4S
Molecular Weight428.39 g/mol
Exact Mass428.08
IUPAC Name4-amino-N-[1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)NC2(C(F)(F)F)NC(=O)N(Cc3ccccc3)C2=O)cc1
InChIInChI=1S/C17H15F3N4O4S/c18-17(19,20)16(23-29(27,28)13-8-6-12(21)7-9-13)14(25)24(15(26)22-16)10-11-4-2-1-3-5-11/h1-9,23H,10,21H2,(H,22,26)
InChIKeyGZBWIJWWJQMZDW-UHFFFAOYSA-N
XLogP1.56
TPSA121.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.39
LogP ≤ 51.56
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-[1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide?
The IUPAC name of 4-amino-N-[1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide (CID 5295050) is 4-amino-N-[1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-amino-N-[1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide?
The canonical SMILES for 4-amino-N-[1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide is Nc1ccc(S(=O)(=O)NC2(C(F)(F)F)NC(=O)N(Cc3ccccc3)C2=O)cc1.
What is the InChIKey of 4-amino-N-[1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide?
The InChIKey is GZBWIJWWJQMZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4O4S/c18-17(19,20)16(23-29(27,28)13-8-6-12(21)7-9-13)14(25)24(15(26)22-16)10-11-4-2-1-3-5-11/h1-9,23H,10,21H2,(H,22,26).
What are the key properties of 4-amino-N-[1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide?
4-amino-N-[1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide has a molecular weight of 428.39 g/mol, XLogP of 1.56, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 5295050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).