N-[2,5-dioxo-1-(2-phenylethyl)-4-(trifluoromethyl)imidazolidin-4-yl]-4-methoxybenzenesulfonamide

C19H18F3N3O5S — CID 15991377

IUPACN-[2,5-dioxo-1-(2-phenylethyl)-4-(trifluoromethyl)imidazolidin-4-yl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2(C(F)(F)F)NC(=O)N(CCc3ccccc3)C2=O)cc1
InChIInChI=1S/C19H18F3N3O5S/c1-30-14-7-9-15(10-8-14)31(28,29)24-18(19(20,21)22)16(26)25(17(27)23-18)12-11-13-5-3-2-4-6-13/h2-10,24H,11-12H2,1H3,(H,23,27)
InChIKeyUULMALYNNPVRLV-UHFFFAOYSA-N
MW457.43 g/mol
LogP2.03
Rot. Bonds7

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

N-[2,5-dioxo-1-(2-phenylethyl)-4-(trifluoromethyl)imidazolidin-4-yl]-4-methoxybenzenesulfonamide (PubChem CID 15991377) has the molecular formula C19H18F3N3O5S and a molecular weight of 457.43 g/mol. Its IUPAC name is N-[2,5-dioxo-1-(2-phenylethyl)-4-(trifluoromethyl)imidazolidin-4-yl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[2,5-dioxo-1-(2-phenylethyl)-4-(trifluoromethyl)imidazolidin-4-yl]-4-methoxybenzenesulfonamide
PubChem CID15991377
Molecular FormulaC19H18F3N3O5S
Molecular Weight457.43 g/mol
Exact Mass457.09
IUPAC NameN-[2,5-dioxo-1-(2-phenylethyl)-4-(trifluoromethyl)imidazolidin-4-yl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2(C(F)(F)F)NC(=O)N(CCc3ccccc3)C2=O)cc1
InChIInChI=1S/C19H18F3N3O5S/c1-30-14-7-9-15(10-8-14)31(28,29)24-18(19(20,21)22)16(26)25(17(27)23-18)12-11-13-5-3-2-4-6-13/h2-10,24H,11-12H2,1H3,(H,23,27)
InChIKeyUULMALYNNPVRLV-UHFFFAOYSA-N
XLogP2.03
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.43
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[2,5-dioxo-1-(2-phenylethyl)-4-(trifluoromethyl)imidazolidin-4-yl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[2,5-dioxo-1-(2-phenylethyl)-4-(trifluoromethyl)imidazolidin-4-yl]-4-methoxybenzenesulfonamide (CID 15991377) is N-[2,5-dioxo-1-(2-phenylethyl)-4-(trifluoromethyl)imidazolidin-4-yl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[2,5-dioxo-1-(2-phenylethyl)-4-(trifluoromethyl)imidazolidin-4-yl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[2,5-dioxo-1-(2-phenylethyl)-4-(trifluoromethyl)imidazolidin-4-yl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NC2(C(F)(F)F)NC(=O)N(CCc3ccccc3)C2=O)cc1.
What is the InChIKey of N-[2,5-dioxo-1-(2-phenylethyl)-4-(trifluoromethyl)imidazolidin-4-yl]-4-methoxybenzenesulfonamide?
The InChIKey is UULMALYNNPVRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O5S/c1-30-14-7-9-15(10-8-14)31(28,29)24-18(19(20,21)22)16(26)25(17(27)23-18)12-11-13-5-3-2-4-6-13/h2-10,24H,11-12H2,1H3,(H,23,27).
What are the key properties of N-[2,5-dioxo-1-(2-phenylethyl)-4-(trifluoromethyl)imidazolidin-4-yl]-4-methoxybenzenesulfonamide?
N-[2,5-dioxo-1-(2-phenylethyl)-4-(trifluoromethyl)imidazolidin-4-yl]-4-methoxybenzenesulfonamide has a molecular weight of 457.43 g/mol, XLogP of 2.03, 7 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-(2-phenylethyl)-4-(trifluoromethyl)imidazolidin-4-yl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 15991377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).