5-(5-chloro-3-methyl-2-methylsulfonylphenyl)imidazolidine-2,4-dione

C11H11ClN2O4S — CID 13312646

IUPAC5-(5-chloro-3-methyl-2-methylsulfonylphenyl)imidazolidine-2,4-dione
SMILESCc1cc(Cl)cc(C2NC(=O)NC2=O)c1S(C)(=O)=O
InChIInChI=1S/C11H11ClN2O4S/c1-5-3-6(12)4-7(9(5)19(2,17)18)8-10(15)14-11(16)13-8/h3-4,8H,1-2H3,(H2,13,14,15,16)
InChIKeyNSBYJYVDSPDBRI-UHFFFAOYSA-N
MW302.74 g/mol
LogP0.93
Rot. Bonds2

About 5-(5-chloro-3-methyl-2-methylsulfonylphenyl)imidazolidine-2,4-dione

5-(5-chloro-3-methyl-2-methylsulfonylphenyl)imidazolidine-2,4-dione (PubChem CID 13312646) has the molecular formula C11H11ClN2O4S and a molecular weight of 302.74 g/mol. Its IUPAC name is 5-(5-chloro-3-methyl-2-methylsulfonylphenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(5-chloro-3-methyl-2-methylsulfonylphenyl)imidazolidine-2,4-dione
PubChem CID13312646
Molecular FormulaC11H11ClN2O4S
Molecular Weight302.74 g/mol
Exact Mass302.01
IUPAC Name5-(5-chloro-3-methyl-2-methylsulfonylphenyl)imidazolidine-2,4-dione
SMILESCc1cc(Cl)cc(C2NC(=O)NC2=O)c1S(C)(=O)=O
InChIInChI=1S/C11H11ClN2O4S/c1-5-3-6(12)4-7(9(5)19(2,17)18)8-10(15)14-11(16)13-8/h3-4,8H,1-2H3,(H2,13,14,15,16)
InChIKeyNSBYJYVDSPDBRI-UHFFFAOYSA-N
XLogP0.93
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.74
LogP ≤ 50.93
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

5-(5-Chloro-2-methylsulfinylphenyl)imidazolidine-2,4-dione
CID 13312629
5-(5-Chloro-2-methylsulfonylphenyl)imidazolidine-2,4-dione
CID 13312636
4-Chloro-2-(2,5-dioxoimidazolidin-4-yl)benzenesulfonamide
CID 13312649
5-(5-Chloro-2-methylsulfanylphenyl)imidazolidine-2,4-dione
CID 13312620
5-[5-Chloro-2-[(4-chlorophenyl)methylsulfinyl]phenyl]imidazolidine-2,4-dione
CID 13312634
5-(5-Chloro-2-ethylsulfonylphenyl)imidazolidine-2,4-dione
CID 13312637
5-(5-Chloro-2-propylsulfonylphenyl)imidazolidine-2,4-dione
CID 13312638
5-(5-Chloro-2-propan-2-ylsulfonylphenyl)imidazolidine-2,4-dione
CID 13312639
5-(5-Fluoro-2-methylsulfonylphenyl)imidazolidine-2,4-dione
CID 13312640
5-[5-Chloro-2-[(4-chlorophenyl)methylsulfonyl]phenyl]imidazolidine-2,4-dione
CID 13312643
5-[5-Chloro-2-[2-(4-chlorophenyl)ethylsulfonyl]phenyl]imidazolidine-2,4-dione
CID 13312644
5-(3,5-Dichloro-2-methylsulfonylphenyl)imidazolidine-2,4-dione
CID 13312645

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-3-methyl-2-methylsulfonylphenyl)imidazolidine-2,4-dione?
The IUPAC name of 5-(5-chloro-3-methyl-2-methylsulfonylphenyl)imidazolidine-2,4-dione (CID 13312646) is 5-(5-chloro-3-methyl-2-methylsulfonylphenyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-(5-chloro-3-methyl-2-methylsulfonylphenyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-(5-chloro-3-methyl-2-methylsulfonylphenyl)imidazolidine-2,4-dione is Cc1cc(Cl)cc(C2NC(=O)NC2=O)c1S(C)(=O)=O.
What is the InChIKey of 5-(5-chloro-3-methyl-2-methylsulfonylphenyl)imidazolidine-2,4-dione?
The InChIKey is NSBYJYVDSPDBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O4S/c1-5-3-6(12)4-7(9(5)19(2,17)18)8-10(15)14-11(16)13-8/h3-4,8H,1-2H3,(H2,13,14,15,16).
What are the key properties of 5-(5-chloro-3-methyl-2-methylsulfonylphenyl)imidazolidine-2,4-dione?
5-(5-chloro-3-methyl-2-methylsulfonylphenyl)imidazolidine-2,4-dione has a molecular weight of 302.74 g/mol, XLogP of 0.93, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-3-methyl-2-methylsulfonylphenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 13312646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).