propan-2-yl 2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]acetate

C15H20Cl2N2O4S — CID 3242916

IUPACpropan-2-yl 2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]acetate
SMILESCC(C)OC(=O)CN1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C15H20Cl2N2O4S/c1-11(2)23-15(20)10-18-5-7-19(8-6-18)24(21,22)14-9-12(16)3-4-13(14)17/h3-4,9,11H,5-8,10H2,1-2H3
InChIKeyZYGDLLQLXFICSV-UHFFFAOYSA-N
MW395.31 g/mol
LogP2.25
Rot. Bonds5

About propan-2-yl 2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]acetate

propan-2-yl 2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]acetate (PubChem CID 3242916) has the molecular formula C15H20Cl2N2O4S and a molecular weight of 395.31 g/mol. Its IUPAC name is propan-2-yl 2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]acetate
PubChem CID3242916
Molecular FormulaC15H20Cl2N2O4S
Molecular Weight395.31 g/mol
Exact Mass394.05
IUPAC Namepropan-2-yl 2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]acetate
SMILESCC(C)OC(=O)CN1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C15H20Cl2N2O4S/c1-11(2)23-15(20)10-18-5-7-19(8-6-18)24(21,22)14-9-12(16)3-4-13(14)17/h3-4,9,11H,5-8,10H2,1-2H3
InChIKeyZYGDLLQLXFICSV-UHFFFAOYSA-N
XLogP2.25
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.31
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]acetate?
The IUPAC name of propan-2-yl 2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]acetate (CID 3242916) is propan-2-yl 2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]acetate.
What is the SMILES notation for propan-2-yl 2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]acetate?
The canonical SMILES for propan-2-yl 2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]acetate is CC(C)OC(=O)CN1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1.
What is the InChIKey of propan-2-yl 2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]acetate?
The InChIKey is ZYGDLLQLXFICSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O4S/c1-11(2)23-15(20)10-18-5-7-19(8-6-18)24(21,22)14-9-12(16)3-4-13(14)17/h3-4,9,11H,5-8,10H2,1-2H3.
What are the key properties of propan-2-yl 2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]acetate?
propan-2-yl 2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]acetate has a molecular weight of 395.31 g/mol, XLogP of 2.25, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]acetate is sourced from PubChem (CID 3242916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).