3-[3-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]propyl]imidazolidine-2,4-dione

C16H20Cl2N4O4S — CID 55861423

IUPAC3-[3-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]propyl]imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1CCCN1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C16H20Cl2N4O4S/c17-12-3-1-4-13(18)15(12)27(25,26)21-9-7-20(8-10-21)5-2-6-22-14(23)11-19-16(22)24/h1,3-4H,2,5-11H2,(H,19,24)
InChIKeyIXNMTADPNQVKQD-UHFFFAOYSA-N
MW435.33 g/mol
LogP1.24
Rot. Bonds6

About 3-[3-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]propyl]imidazolidine-2,4-dione

3-[3-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]propyl]imidazolidine-2,4-dione (PubChem CID 55861423) has the molecular formula C16H20Cl2N4O4S and a molecular weight of 435.33 g/mol. Its IUPAC name is 3-[3-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]propyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[3-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]propyl]imidazolidine-2,4-dione
PubChem CID55861423
Molecular FormulaC16H20Cl2N4O4S
Molecular Weight435.33 g/mol
Exact Mass434.06
IUPAC Name3-[3-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]propyl]imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1CCCN1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C16H20Cl2N4O4S/c17-12-3-1-4-13(18)15(12)27(25,26)21-9-7-20(8-10-21)5-2-6-22-14(23)11-19-16(22)24/h1,3-4H,2,5-11H2,(H,19,24)
InChIKeyIXNMTADPNQVKQD-UHFFFAOYSA-N
XLogP1.24
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.33
LogP ≤ 51.24
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-[3-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]propyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[3-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]propyl]imidazolidine-2,4-dione (CID 55861423) is 3-[3-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]propyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[3-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]propyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[3-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]propyl]imidazolidine-2,4-dione is O=C1CNC(=O)N1CCCN1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1.
What is the InChIKey of 3-[3-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]propyl]imidazolidine-2,4-dione?
The InChIKey is IXNMTADPNQVKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2N4O4S/c17-12-3-1-4-13(18)15(12)27(25,26)21-9-7-20(8-10-21)5-2-6-22-14(23)11-19-16(22)24/h1,3-4H,2,5-11H2,(H,19,24).
What are the key properties of 3-[3-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]propyl]imidazolidine-2,4-dione?
3-[3-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]propyl]imidazolidine-2,4-dione has a molecular weight of 435.33 g/mol, XLogP of 1.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]propyl]imidazolidine-2,4-dione is sourced from PubChem (CID 55861423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).