5-[5-chloro-2-[(4-chlorophenyl)methylsulfonyl]phenyl]imidazolidine-2,4-dione

C16H12Cl2N2O4S — CID 13312643

IUPAC5-[5-chloro-2-[(4-chlorophenyl)methylsulfonyl]phenyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(c2cc(Cl)ccc2S(=O)(=O)Cc2ccc(Cl)cc2)N1
InChIInChI=1S/C16H12Cl2N2O4S/c17-10-3-1-9(2-4-10)8-25(23,24)13-6-5-11(18)7-12(13)14-15(21)20-16(22)19-14/h1-7,14H,8H2,(H2,19,20,21,22)
InChIKeyJBFCCKVDWQPSBY-UHFFFAOYSA-N
MW399.26 g/mol
LogP2.85
Rot. Bonds4

About 5-[5-chloro-2-[(4-chlorophenyl)methylsulfonyl]phenyl]imidazolidine-2,4-dione

5-[5-chloro-2-[(4-chlorophenyl)methylsulfonyl]phenyl]imidazolidine-2,4-dione (PubChem CID 13312643) has the molecular formula C16H12Cl2N2O4S and a molecular weight of 399.26 g/mol. Its IUPAC name is 5-[5-chloro-2-[(4-chlorophenyl)methylsulfonyl]phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[5-chloro-2-[(4-chlorophenyl)methylsulfonyl]phenyl]imidazolidine-2,4-dione
PubChem CID13312643
Molecular FormulaC16H12Cl2N2O4S
Molecular Weight399.26 g/mol
Exact Mass397.99
IUPAC Name5-[5-chloro-2-[(4-chlorophenyl)methylsulfonyl]phenyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(c2cc(Cl)ccc2S(=O)(=O)Cc2ccc(Cl)cc2)N1
InChIInChI=1S/C16H12Cl2N2O4S/c17-10-3-1-9(2-4-10)8-25(23,24)13-6-5-11(18)7-12(13)14-15(21)20-16(22)19-14/h1-7,14H,8H2,(H2,19,20,21,22)
InChIKeyJBFCCKVDWQPSBY-UHFFFAOYSA-N
XLogP2.85
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.26
LogP ≤ 52.85
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-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
5-(5-Chloro-3-methyl-2-methylsulfonylphenyl)imidazolidine-2,4-dione
CID 13312646
5-[5-Chloro-2-methylsulfonyl-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
CID 13312647

Frequently Asked Questions

What is the IUPAC name of 5-[5-chloro-2-[(4-chlorophenyl)methylsulfonyl]phenyl]imidazolidine-2,4-dione?
The IUPAC name of 5-[5-chloro-2-[(4-chlorophenyl)methylsulfonyl]phenyl]imidazolidine-2,4-dione (CID 13312643) is 5-[5-chloro-2-[(4-chlorophenyl)methylsulfonyl]phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-[5-chloro-2-[(4-chlorophenyl)methylsulfonyl]phenyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-[5-chloro-2-[(4-chlorophenyl)methylsulfonyl]phenyl]imidazolidine-2,4-dione is O=C1NC(=O)C(c2cc(Cl)ccc2S(=O)(=O)Cc2ccc(Cl)cc2)N1.
What is the InChIKey of 5-[5-chloro-2-[(4-chlorophenyl)methylsulfonyl]phenyl]imidazolidine-2,4-dione?
The InChIKey is JBFCCKVDWQPSBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2O4S/c17-10-3-1-9(2-4-10)8-25(23,24)13-6-5-11(18)7-12(13)14-15(21)20-16(22)19-14/h1-7,14H,8H2,(H2,19,20,21,22).
What are the key properties of 5-[5-chloro-2-[(4-chlorophenyl)methylsulfonyl]phenyl]imidazolidine-2,4-dione?
5-[5-chloro-2-[(4-chlorophenyl)methylsulfonyl]phenyl]imidazolidine-2,4-dione has a molecular weight of 399.26 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-chloro-2-[(4-chlorophenyl)methylsulfonyl]phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 13312643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).