[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-[(2,6-dichlorophenyl)sulfonylamino]acetate

C20H21Cl2N3O5S — CID 5157220

IUPAC[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-[(2,6-dichlorophenyl)sulfonylamino]acetate
SMILESO=C(CNS(=O)(=O)c1c(Cl)cccc1Cl)OCC(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H21Cl2N3O5S/c21-16-7-4-8-17(22)20(16)31(28,29)23-13-19(27)30-14-18(26)25-11-9-24(10-12-25)15-5-2-1-3-6-15/h1-8,23H,9-14H2
InChIKeyPZDXKKQRYPOGNM-UHFFFAOYSA-N
MW486.38 g/mol
LogP2.16
Rot. Bonds7

About [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-[(2,6-dichlorophenyl)sulfonylamino]acetate

[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-[(2,6-dichlorophenyl)sulfonylamino]acetate (PubChem CID 5157220) has the molecular formula C20H21Cl2N3O5S and a molecular weight of 486.38 g/mol. Its IUPAC name is [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-[(2,6-dichlorophenyl)sulfonylamino]acetate.

Molecular Properties

Compound Name[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-[(2,6-dichlorophenyl)sulfonylamino]acetate
PubChem CID5157220
Molecular FormulaC20H21Cl2N3O5S
Molecular Weight486.38 g/mol
Exact Mass485.06
IUPAC Name[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-[(2,6-dichlorophenyl)sulfonylamino]acetate
SMILESO=C(CNS(=O)(=O)c1c(Cl)cccc1Cl)OCC(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H21Cl2N3O5S/c21-16-7-4-8-17(22)20(16)31(28,29)23-13-19(27)30-14-18(26)25-11-9-24(10-12-25)15-5-2-1-3-6-15/h1-8,23H,9-14H2
InChIKeyPZDXKKQRYPOGNM-UHFFFAOYSA-N
XLogP2.16
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.38
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-[(2,6-dichlorophenyl)sulfonylamino]acetate?
The IUPAC name of [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-[(2,6-dichlorophenyl)sulfonylamino]acetate (CID 5157220) is [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-[(2,6-dichlorophenyl)sulfonylamino]acetate.
What is the SMILES notation for [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-[(2,6-dichlorophenyl)sulfonylamino]acetate?
The canonical SMILES for [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-[(2,6-dichlorophenyl)sulfonylamino]acetate is O=C(CNS(=O)(=O)c1c(Cl)cccc1Cl)OCC(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-[(2,6-dichlorophenyl)sulfonylamino]acetate?
The InChIKey is PZDXKKQRYPOGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2N3O5S/c21-16-7-4-8-17(22)20(16)31(28,29)23-13-19(27)30-14-18(26)25-11-9-24(10-12-25)15-5-2-1-3-6-15/h1-8,23H,9-14H2.
What are the key properties of [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-[(2,6-dichlorophenyl)sulfonylamino]acetate?
[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-[(2,6-dichlorophenyl)sulfonylamino]acetate has a molecular weight of 486.38 g/mol, XLogP of 2.16, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-[(2,6-dichlorophenyl)sulfonylamino]acetate is sourced from PubChem (CID 5157220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).