(5S)-3-(4-chlorophenyl)-5-methyl-1-[(4-methylsulfonylphenyl)methyl]imidazolidine-2,4-dione

C18H17ClN2O4S — CID 156703236

IUPAC(5S)-3-(4-chlorophenyl)-5-methyl-1-[(4-methylsulfonylphenyl)methyl]imidazolidine-2,4-dione
SMILESC[C@H]1C(=O)N(c2ccc(Cl)cc2)C(=O)N1Cc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C18H17ClN2O4S/c1-12-17(22)21(15-7-5-14(19)6-8-15)18(23)20(12)11-13-3-9-16(10-4-13)26(2,24)25/h3-10,12H,11H2,1-2H3/t12-/m0/s1
InChIKeyFKQVNLLAXDZUBH-LBPRGKRZSA-N
MW392.86 g/mol
LogP3.10
Rot. Bonds4

About (5S)-3-(4-chlorophenyl)-5-methyl-1-[(4-methylsulfonylphenyl)methyl]imidazolidine-2,4-dione

(5S)-3-(4-chlorophenyl)-5-methyl-1-[(4-methylsulfonylphenyl)methyl]imidazolidine-2,4-dione (PubChem CID 156703236) has the molecular formula C18H17ClN2O4S and a molecular weight of 392.86 g/mol. Its IUPAC name is (5S)-3-(4-chlorophenyl)-5-methyl-1-[(4-methylsulfonylphenyl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-(4-chlorophenyl)-5-methyl-1-[(4-methylsulfonylphenyl)methyl]imidazolidine-2,4-dione
PubChem CID156703236
Molecular FormulaC18H17ClN2O4S
Molecular Weight392.86 g/mol
Exact Mass392.06
IUPAC Name(5S)-3-(4-chlorophenyl)-5-methyl-1-[(4-methylsulfonylphenyl)methyl]imidazolidine-2,4-dione
SMILESC[C@H]1C(=O)N(c2ccc(Cl)cc2)C(=O)N1Cc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C18H17ClN2O4S/c1-12-17(22)21(15-7-5-14(19)6-8-15)18(23)20(12)11-13-3-9-16(10-4-13)26(2,24)25/h3-10,12H,11H2,1-2H3/t12-/m0/s1
InChIKeyFKQVNLLAXDZUBH-LBPRGKRZSA-N
XLogP3.10
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.86
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S)-3-(4-chlorophenyl)-5-methyl-1-[(4-methylsulfonylphenyl)methyl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-3-(4-chlorophenyl)-5-methyl-1-[(4-methylsulfonylphenyl)methyl]imidazolidine-2,4-dione (CID 156703236) is (5S)-3-(4-chlorophenyl)-5-methyl-1-[(4-methylsulfonylphenyl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-(4-chlorophenyl)-5-methyl-1-[(4-methylsulfonylphenyl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-(4-chlorophenyl)-5-methyl-1-[(4-methylsulfonylphenyl)methyl]imidazolidine-2,4-dione is C[C@H]1C(=O)N(c2ccc(Cl)cc2)C(=O)N1Cc1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of (5S)-3-(4-chlorophenyl)-5-methyl-1-[(4-methylsulfonylphenyl)methyl]imidazolidine-2,4-dione?
The InChIKey is FKQVNLLAXDZUBH-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H17ClN2O4S/c1-12-17(22)21(15-7-5-14(19)6-8-15)18(23)20(12)11-13-3-9-16(10-4-13)26(2,24)25/h3-10,12H,11H2,1-2H3/t12-/m0/s1.
What are the key properties of (5S)-3-(4-chlorophenyl)-5-methyl-1-[(4-methylsulfonylphenyl)methyl]imidazolidine-2,4-dione?
(5S)-3-(4-chlorophenyl)-5-methyl-1-[(4-methylsulfonylphenyl)methyl]imidazolidine-2,4-dione has a molecular weight of 392.86 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-(4-chlorophenyl)-5-methyl-1-[(4-methylsulfonylphenyl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 156703236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).