2-(4-chlorophenoxy)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]acetamide

C20H23ClFN3O4S — CID 22578846

IUPAC2-(4-chlorophenoxy)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)NCCS(=O)(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H23ClFN3O4S/c21-16-1-7-19(8-2-16)29-15-20(26)23-9-14-30(27,28)25-12-10-24(11-13-25)18-5-3-17(22)4-6-18/h1-8H,9-15H2,(H,23,26)
InChIKeyMBGSDILNKIDBNZ-UHFFFAOYSA-N
MW455.94 g/mol
LogP2.13
Rot. Bonds8

About 2-(4-chlorophenoxy)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]acetamide

2-(4-chlorophenoxy)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]acetamide (PubChem CID 22578846) has the molecular formula C20H23ClFN3O4S and a molecular weight of 455.94 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]acetamide
PubChem CID22578846
Molecular FormulaC20H23ClFN3O4S
Molecular Weight455.94 g/mol
Exact Mass455.11
IUPAC Name2-(4-chlorophenoxy)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)NCCS(=O)(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H23ClFN3O4S/c21-16-1-7-19(8-2-16)29-15-20(26)23-9-14-30(27,28)25-12-10-24(11-13-25)18-5-3-17(22)4-6-18/h1-8H,9-15H2,(H,23,26)
InChIKeyMBGSDILNKIDBNZ-UHFFFAOYSA-N
XLogP2.13
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.94
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]acetamide (CID 22578846) is 2-(4-chlorophenoxy)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]acetamide is O=C(COc1ccc(Cl)cc1)NCCS(=O)(=O)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]acetamide?
The InChIKey is MBGSDILNKIDBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClFN3O4S/c21-16-1-7-19(8-2-16)29-15-20(26)23-9-14-30(27,28)25-12-10-24(11-13-25)18-5-3-17(22)4-6-18/h1-8H,9-15H2,(H,23,26).
What are the key properties of 2-(4-chlorophenoxy)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]acetamide?
2-(4-chlorophenoxy)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]acetamide has a molecular weight of 455.94 g/mol, XLogP of 2.13, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]acetamide is sourced from PubChem (CID 22578846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).