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

C18H16F3N3O4S — CID 2216971

IUPACN-[(4S)-1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@@]2(C(F)(F)F)NC(=O)N(Cc3ccccc3)C2=O)cc1
InChIInChI=1S/C18H16F3N3O4S/c1-12-7-9-14(10-8-12)29(27,28)23-17(18(19,20)21)15(25)24(16(26)22-17)11-13-5-3-2-4-6-13/h2-10,23H,11H2,1H3,(H,22,26)/t17-/m0/s1
InChIKeyVXDXGJRCLPFYGG-KRWDZBQOSA-N
MW427.40 g/mol
LogP2.28
Rot. Bonds5

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

N-[(4S)-1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-methylbenzenesulfonamide (PubChem CID 2216971) has the molecular formula C18H16F3N3O4S and a molecular weight of 427.40 g/mol. Its IUPAC name is N-[(4S)-1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(4S)-1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-methylbenzenesulfonamide
PubChem CID2216971
Molecular FormulaC18H16F3N3O4S
Molecular Weight427.40 g/mol
Exact Mass427.08
IUPAC NameN-[(4S)-1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@@]2(C(F)(F)F)NC(=O)N(Cc3ccccc3)C2=O)cc1
InChIInChI=1S/C18H16F3N3O4S/c1-12-7-9-14(10-8-12)29(27,28)23-17(18(19,20)21)15(25)24(16(26)22-17)11-13-5-3-2-4-6-13/h2-10,23H,11H2,1H3,(H,22,26)/t17-/m0/s1
InChIKeyVXDXGJRCLPFYGG-KRWDZBQOSA-N
XLogP2.28
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.40
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2,5-dioxo-1-(2-phenylethyl)-4-(trifluoromethyl)imidazolidin-4-yl]-4-methylbenzenesulfonamide
CID 2962093
N-[1-(4-chlorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-methylbenzenesulfonamide
CID 46500675
N-[(4R)-1-(4-chlorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-methylbenzenesulfonamide
CID 92651708
N-[2,5-dioxo-1-[(4-sulfamoylphenyl)methyl]-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
CID 4904947
N-[(3R)-1-benzyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-4-methylbenzenesulfonamide
CID 92651711
5-methyl-3-[[4-(4-methylphenyl)sulfonylphenyl]methyl]-5-phenylimidazolidine-2,4-dione
CID 46435513
tert-butyl N-[(4S)-1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]carbamate
CID 97489697
(5S)-3-benzyl-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 51463779
N-[1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-fluorobenzamide
CID 3836618
N-[(4R)-1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]furan-2-carboxamide
CID 7044502
4-chloro-N-[1-(2-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide
CID 3995576
N-[(4S)-2,5-dioxo-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazolidin-4-yl]-4-methylbenzamide
CID 41064433

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(4S)-1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-methylbenzenesulfonamide (CID 2216971) is N-[(4S)-1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(4S)-1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(4S)-1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N[C@@]2(C(F)(F)F)NC(=O)N(Cc3ccccc3)C2=O)cc1.
What is the InChIKey of N-[(4S)-1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-methylbenzenesulfonamide?
The InChIKey is VXDXGJRCLPFYGG-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H16F3N3O4S/c1-12-7-9-14(10-8-12)29(27,28)23-17(18(19,20)21)15(25)24(16(26)22-17)11-13-5-3-2-4-6-13/h2-10,23H,11H2,1H3,(H,22,26)/t17-/m0/s1.
What are the key properties of N-[(4S)-1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-methylbenzenesulfonamide?
N-[(4S)-1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-methylbenzenesulfonamide has a molecular weight of 427.40 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 2216971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).