N-[2,5-dioxo-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide

C16H13F3N4O4S — CID 3244016

IUPACN-[2,5-dioxo-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide
SMILESO=C1NC(NS(=O)(=O)c2ccccc2)(C(F)(F)F)C(=O)N1Cc1cccnc1
InChIInChI=1S/C16H13F3N4O4S/c17-16(18,19)15(22-28(26,27)12-6-2-1-3-7-12)13(24)23(14(25)21-15)10-11-5-4-8-20-9-11/h1-9,22H,10H2,(H,21,25)
InChIKeyCBEWGSAHPZRONA-UHFFFAOYSA-N
MW414.37 g/mol
LogP1.37
Rot. Bonds5

About N-[2,5-dioxo-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide

N-[2,5-dioxo-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide (PubChem CID 3244016) has the molecular formula C16H13F3N4O4S and a molecular weight of 414.37 g/mol. Its IUPAC name is N-[2,5-dioxo-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2,5-dioxo-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide
PubChem CID3244016
Molecular FormulaC16H13F3N4O4S
Molecular Weight414.37 g/mol
Exact Mass414.06
IUPAC NameN-[2,5-dioxo-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide
SMILESO=C1NC(NS(=O)(=O)c2ccccc2)(C(F)(F)F)C(=O)N1Cc1cccnc1
InChIInChI=1S/C16H13F3N4O4S/c17-16(18,19)15(22-28(26,27)12-6-2-1-3-7-12)13(24)23(14(25)21-15)10-11-5-4-8-20-9-11/h1-9,22H,10H2,(H,21,25)
InChIKeyCBEWGSAHPZRONA-UHFFFAOYSA-N
XLogP1.37
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.37
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2,5-dioxo-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2,5-dioxo-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide?
The IUPAC name of N-[2,5-dioxo-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide (CID 3244016) is N-[2,5-dioxo-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide.
What is the SMILES notation for N-[2,5-dioxo-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide?
The canonical SMILES for N-[2,5-dioxo-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide is O=C1NC(NS(=O)(=O)c2ccccc2)(C(F)(F)F)C(=O)N1Cc1cccnc1.
What is the InChIKey of N-[2,5-dioxo-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide?
The InChIKey is CBEWGSAHPZRONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N4O4S/c17-16(18,19)15(22-28(26,27)12-6-2-1-3-7-12)13(24)23(14(25)21-15)10-11-5-4-8-20-9-11/h1-9,22H,10H2,(H,21,25).
What are the key properties of N-[2,5-dioxo-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide?
N-[2,5-dioxo-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide has a molecular weight of 414.37 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,5-dioxo-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 3244016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).