3-[1-(2,4-dichloro-5-methylphenyl)sulfonylpyrrolidin-3-yl]imidazolidine-2,4-dione

C14H15Cl2N3O4S — CID 121160117

IUPAC3-[1-(2,4-dichloro-5-methylphenyl)sulfonylpyrrolidin-3-yl]imidazolidine-2,4-dione
SMILESCc1cc(S(=O)(=O)N2CCC(N3C(=O)CNC3=O)C2)c(Cl)cc1Cl
InChIInChI=1S/C14H15Cl2N3O4S/c1-8-4-12(11(16)5-10(8)15)24(22,23)18-3-2-9(7-18)19-13(20)6-17-14(19)21/h4-5,9H,2-3,6-7H2,1H3,(H,17,21)
InChIKeyMBLCOQBXUXWIFA-UHFFFAOYSA-N
MW392.26 g/mol
LogP1.62
Rot. Bonds3

About 3-[1-(2,4-dichloro-5-methylphenyl)sulfonylpyrrolidin-3-yl]imidazolidine-2,4-dione

3-[1-(2,4-dichloro-5-methylphenyl)sulfonylpyrrolidin-3-yl]imidazolidine-2,4-dione (PubChem CID 121160117) has the molecular formula C14H15Cl2N3O4S and a molecular weight of 392.26 g/mol. Its IUPAC name is 3-[1-(2,4-dichloro-5-methylphenyl)sulfonylpyrrolidin-3-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[1-(2,4-dichloro-5-methylphenyl)sulfonylpyrrolidin-3-yl]imidazolidine-2,4-dione
PubChem CID121160117
Molecular FormulaC14H15Cl2N3O4S
Molecular Weight392.26 g/mol
Exact Mass391.02
IUPAC Name3-[1-(2,4-dichloro-5-methylphenyl)sulfonylpyrrolidin-3-yl]imidazolidine-2,4-dione
SMILESCc1cc(S(=O)(=O)N2CCC(N3C(=O)CNC3=O)C2)c(Cl)cc1Cl
InChIInChI=1S/C14H15Cl2N3O4S/c1-8-4-12(11(16)5-10(8)15)24(22,23)18-3-2-9(7-18)19-13(20)6-17-14(19)21/h4-5,9H,2-3,6-7H2,1H3,(H,17,21)
InChIKeyMBLCOQBXUXWIFA-UHFFFAOYSA-N
XLogP1.62
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.26
LogP ≤ 51.62
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

3-[(3S)-1-(2,4-dichloro-5-methylphenyl)sulfonylpyrrolidin-3-yl]-1,3-thiazolidine-2,4-dione
CID 99991927
3-[1-(2,3,5,6-tetramethylphenyl)sulfonylpyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121160104
3-[1-(2-chlorophenyl)sulfonylpyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121160081
3-[1-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121160129
3-[1-[4-(3,4-dichlorophenyl)phenyl]sulfonylpyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121160142
3-[1-[4-(4-methylphenyl)phenyl]sulfonylpyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121160139
3-[1-(2-methoxyphenyl)sulfonylpyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121160074
N-[4-[3-(2,5-dioxoimidazolidin-1-yl)pyrrolidin-1-yl]sulfonyl-3-methylphenyl]propanamide
CID 121160161
3-[1-(3-phenylphenyl)sulfonylpyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121160153
4-[1-(2,4-dichloro-5-methylphenyl)sulfonylpyrrolidin-3-yl]oxypyrimidine
CID 122160912
3-[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]imidazolidine-2,4-dione
CID 121160518
2-[1-(2,4-dichloro-5-methylphenyl)sulfonylpiperidin-4-yl]oxypyrimidine
CID 90558922

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,4-dichloro-5-methylphenyl)sulfonylpyrrolidin-3-yl]imidazolidine-2,4-dione?
The IUPAC name of 3-[1-(2,4-dichloro-5-methylphenyl)sulfonylpyrrolidin-3-yl]imidazolidine-2,4-dione (CID 121160117) is 3-[1-(2,4-dichloro-5-methylphenyl)sulfonylpyrrolidin-3-yl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[1-(2,4-dichloro-5-methylphenyl)sulfonylpyrrolidin-3-yl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[1-(2,4-dichloro-5-methylphenyl)sulfonylpyrrolidin-3-yl]imidazolidine-2,4-dione is Cc1cc(S(=O)(=O)N2CCC(N3C(=O)CNC3=O)C2)c(Cl)cc1Cl.
What is the InChIKey of 3-[1-(2,4-dichloro-5-methylphenyl)sulfonylpyrrolidin-3-yl]imidazolidine-2,4-dione?
The InChIKey is MBLCOQBXUXWIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3O4S/c1-8-4-12(11(16)5-10(8)15)24(22,23)18-3-2-9(7-18)19-13(20)6-17-14(19)21/h4-5,9H,2-3,6-7H2,1H3,(H,17,21).
What are the key properties of 3-[1-(2,4-dichloro-5-methylphenyl)sulfonylpyrrolidin-3-yl]imidazolidine-2,4-dione?
3-[1-(2,4-dichloro-5-methylphenyl)sulfonylpyrrolidin-3-yl]imidazolidine-2,4-dione has a molecular weight of 392.26 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,4-dichloro-5-methylphenyl)sulfonylpyrrolidin-3-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 121160117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).