3-[2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione

C19H22Cl2N4O5S — CID 25161811

IUPAC3-[2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESO=C(CN1C(=O)NC2(CCCC2)C1=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C19H22Cl2N4O5S/c20-13-3-4-14(21)15(11-13)31(29,30)24-9-7-23(8-10-24)16(26)12-25-17(27)19(22-18(25)28)5-1-2-6-19/h3-4,11H,1-2,5-10,12H2,(H,22,28)
InChIKeyOQWFLRCCKYEEAZ-UHFFFAOYSA-N
MW489.38 g/mol
LogP1.69
Rot. Bonds4

About 3-[2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione

3-[2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione (PubChem CID 25161811) has the molecular formula C19H22Cl2N4O5S and a molecular weight of 489.38 g/mol. Its IUPAC name is 3-[2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name3-[2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
PubChem CID25161811
Molecular FormulaC19H22Cl2N4O5S
Molecular Weight489.38 g/mol
Exact Mass488.07
IUPAC Name3-[2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESO=C(CN1C(=O)NC2(CCCC2)C1=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C19H22Cl2N4O5S/c20-13-3-4-14(21)15(11-13)31(29,30)24-9-7-23(8-10-24)16(26)12-25-17(27)19(22-18(25)28)5-1-2-6-19/h3-4,11H,1-2,5-10,12H2,(H,22,28)
InChIKeyOQWFLRCCKYEEAZ-UHFFFAOYSA-N
XLogP1.69
TPSA107.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.38
LogP ≤ 51.69
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]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of 3-[2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione (CID 25161811) is 3-[2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for 3-[2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for 3-[2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione is O=C(CN1C(=O)NC2(CCCC2)C1=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1.
What is the InChIKey of 3-[2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The InChIKey is OQWFLRCCKYEEAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N4O5S/c20-13-3-4-14(21)15(11-13)31(29,30)24-9-7-23(8-10-24)16(26)12-25-17(27)19(22-18(25)28)5-1-2-6-19/h3-4,11H,1-2,5-10,12H2,(H,22,28).
What are the key properties of 3-[2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
3-[2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione has a molecular weight of 489.38 g/mol, XLogP of 1.69, 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]-1,3-diazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 25161811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).