(5S)-3-(4-chlorophenyl)sulfonyl-5-(2-phenylethyl)imidazolidine-2,4-dione

C17H15ClN2O4S — CID 139711446

IUPAC(5S)-3-(4-chlorophenyl)sulfonyl-5-(2-phenylethyl)imidazolidine-2,4-dione
SMILESO=C1N[C@@H](CCc2ccccc2)C(=O)N1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H15ClN2O4S/c18-13-7-9-14(10-8-13)25(23,24)20-16(21)15(19-17(20)22)11-6-12-4-2-1-3-5-12/h1-5,7-10,15H,6,11H2,(H,19,22)/t15-/m0/s1
InChIKeyXMROBBJUASDIQO-HNNXBMFYSA-N
MW378.84 g/mol
LogP2.58
Rot. Bonds5

About (5S)-3-(4-chlorophenyl)sulfonyl-5-(2-phenylethyl)imidazolidine-2,4-dione

(5S)-3-(4-chlorophenyl)sulfonyl-5-(2-phenylethyl)imidazolidine-2,4-dione (PubChem CID 139711446) has the molecular formula C17H15ClN2O4S and a molecular weight of 378.84 g/mol. Its IUPAC name is (5S)-3-(4-chlorophenyl)sulfonyl-5-(2-phenylethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-(4-chlorophenyl)sulfonyl-5-(2-phenylethyl)imidazolidine-2,4-dione
PubChem CID139711446
Molecular FormulaC17H15ClN2O4S
Molecular Weight378.84 g/mol
Exact Mass378.04
IUPAC Name(5S)-3-(4-chlorophenyl)sulfonyl-5-(2-phenylethyl)imidazolidine-2,4-dione
SMILESO=C1N[C@@H](CCc2ccccc2)C(=O)N1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H15ClN2O4S/c18-13-7-9-14(10-8-13)25(23,24)20-16(21)15(19-17(20)22)11-6-12-4-2-1-3-5-12/h1-5,7-10,15H,6,11H2,(H,19,22)/t15-/m0/s1
InChIKeyXMROBBJUASDIQO-HNNXBMFYSA-N
XLogP2.58
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.84
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5S)-5-benzyl-3-(3,4-dimethylphenyl)sulfonylimidazolidine-2,4-dione
CID 139711441
3-[2-(benzenesulfonyl)ethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 75865261
N-(4-chlorophenyl)-2-[(4S)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 2704027
(5R)-3-(2-methylsulfonylethyl)-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 95582364
3-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]sulfonylbenzoic acid
CID 139711429
N-(4-chloro-2-methylphenyl)-2-[(4R)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 2703899
(5S)-3-[(4-tert-butylphenyl)methyl]-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 7917027
(5R)-3-(2-oxopropyl)-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 2598130
4-[[(4R)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]methyl]benzonitrile
CID 2598097
N-[2-(4-chlorophenyl)sulfanylphenyl]-2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 42898323
2-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-N-(3-phenylpropyl)acetamide
CID 46294928
(2R)-1-(4-chlorophenyl)sulfonyl-N-(3-phenylpropyl)pyrrolidine-2-carboxamide
CID 8795067

Frequently Asked Questions

What is the IUPAC name of (5S)-3-(4-chlorophenyl)sulfonyl-5-(2-phenylethyl)imidazolidine-2,4-dione?
The IUPAC name of (5S)-3-(4-chlorophenyl)sulfonyl-5-(2-phenylethyl)imidazolidine-2,4-dione (CID 139711446) is (5S)-3-(4-chlorophenyl)sulfonyl-5-(2-phenylethyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-(4-chlorophenyl)sulfonyl-5-(2-phenylethyl)imidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-(4-chlorophenyl)sulfonyl-5-(2-phenylethyl)imidazolidine-2,4-dione is O=C1N[C@@H](CCc2ccccc2)C(=O)N1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of (5S)-3-(4-chlorophenyl)sulfonyl-5-(2-phenylethyl)imidazolidine-2,4-dione?
The InChIKey is XMROBBJUASDIQO-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H15ClN2O4S/c18-13-7-9-14(10-8-13)25(23,24)20-16(21)15(19-17(20)22)11-6-12-4-2-1-3-5-12/h1-5,7-10,15H,6,11H2,(H,19,22)/t15-/m0/s1.
What are the key properties of (5S)-3-(4-chlorophenyl)sulfonyl-5-(2-phenylethyl)imidazolidine-2,4-dione?
(5S)-3-(4-chlorophenyl)sulfonyl-5-(2-phenylethyl)imidazolidine-2,4-dione has a molecular weight of 378.84 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-(4-chlorophenyl)sulfonyl-5-(2-phenylethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 139711446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).