3-[2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione

C17H20Cl2N4O5S — CID 25163826

IUPAC3-[2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)C1=O
InChIInChI=1S/C17H20Cl2N4O5S/c1-17(2)15(25)23(16(26)20-17)10-14(24)21-5-7-22(8-6-21)29(27,28)13-9-11(18)3-4-12(13)19/h3-4,9H,5-8,10H2,1-2H3,(H,20,26)
InChIKeyTZUUSTJIOSLFBR-UHFFFAOYSA-N
MW463.34 g/mol
LogP1.16
Rot. Bonds4

About 3-[2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione

3-[2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 25163826) has the molecular formula C17H20Cl2N4O5S and a molecular weight of 463.34 g/mol. Its IUPAC name is 3-[2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID25163826
Molecular FormulaC17H20Cl2N4O5S
Molecular Weight463.34 g/mol
Exact Mass462.05
IUPAC Name3-[2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)C1=O
InChIInChI=1S/C17H20Cl2N4O5S/c1-17(2)15(25)23(16(26)20-17)10-14(24)21-5-7-22(8-6-21)29(27,28)13-9-11(18)3-4-12(13)19/h3-4,9H,5-8,10H2,1-2H3,(H,20,26)
InChIKeyTZUUSTJIOSLFBR-UHFFFAOYSA-N
XLogP1.16
TPSA107.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.34
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione (CID 25163826) is 3-[2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione is CC1(C)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)C1=O.
What is the InChIKey of 3-[2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is TZUUSTJIOSLFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl2N4O5S/c1-17(2)15(25)23(16(26)20-17)10-14(24)21-5-7-22(8-6-21)29(27,28)13-9-11(18)3-4-12(13)19/h3-4,9H,5-8,10H2,1-2H3,(H,20,26).
What are the key properties of 3-[2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione?
3-[2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 463.34 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 25163826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).