2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(4-ethoxyphenyl)acetamide

C20H24ClN3O4S — CID 3241767

IUPAC2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C20H24ClN3O4S/c1-2-28-18-7-5-17(6-8-18)22-20(25)15-23-11-13-24(14-12-23)29(26,27)19-9-3-16(21)4-10-19/h3-10H,2,11-15H2,1H3,(H,22,25)
InChIKeyBAWRCDINGFRQGO-UHFFFAOYSA-N
MW437.95 g/mol
LogP2.68
Rot. Bonds7

About 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(4-ethoxyphenyl)acetamide

2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(4-ethoxyphenyl)acetamide (PubChem CID 3241767) has the molecular formula C20H24ClN3O4S and a molecular weight of 437.95 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(4-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(4-ethoxyphenyl)acetamide
PubChem CID3241767
Molecular FormulaC20H24ClN3O4S
Molecular Weight437.95 g/mol
Exact Mass437.12
IUPAC Name2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C20H24ClN3O4S/c1-2-28-18-7-5-17(6-8-18)22-20(25)15-23-11-13-24(14-12-23)29(26,27)19-9-3-16(21)4-10-19/h3-10H,2,11-15H2,1H3,(H,22,25)
InChIKeyBAWRCDINGFRQGO-UHFFFAOYSA-N
XLogP2.68
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.95
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(4-ethoxyphenyl)acetamide?
The IUPAC name of 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(4-ethoxyphenyl)acetamide (CID 3241767) is 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(4-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(4-ethoxyphenyl)acetamide?
The canonical SMILES for 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(4-ethoxyphenyl)acetamide is CCOc1ccc(NC(=O)CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1.
What is the InChIKey of 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(4-ethoxyphenyl)acetamide?
The InChIKey is BAWRCDINGFRQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O4S/c1-2-28-18-7-5-17(6-8-18)22-20(25)15-23-11-13-24(14-12-23)29(26,27)19-9-3-16(21)4-10-19/h3-10H,2,11-15H2,1H3,(H,22,25).
What are the key properties of 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(4-ethoxyphenyl)acetamide?
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(4-ethoxyphenyl)acetamide has a molecular weight of 437.95 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(4-ethoxyphenyl)acetamide is sourced from PubChem (CID 3241767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).