2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-N-(2-methylpropyl)acetamide

C16H23Cl2N3O3S — CID 8758218

IUPAC2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CN1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C16H23Cl2N3O3S/c1-12(2)10-19-15(22)11-20-6-8-21(9-7-20)25(23,24)14-5-3-4-13(17)16(14)18/h3-5,12H,6-11H2,1-2H3,(H,19,22)
InChIKeyBGMDDHJQBVRJME-UHFFFAOYSA-N
MW408.35 g/mol
LogP2.07
Rot. Bonds6

About 2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-N-(2-methylpropyl)acetamide

2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-N-(2-methylpropyl)acetamide (PubChem CID 8758218) has the molecular formula C16H23Cl2N3O3S and a molecular weight of 408.35 g/mol. Its IUPAC name is 2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-N-(2-methylpropyl)acetamide
PubChem CID8758218
Molecular FormulaC16H23Cl2N3O3S
Molecular Weight408.35 g/mol
Exact Mass407.08
IUPAC Name2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CN1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C16H23Cl2N3O3S/c1-12(2)10-19-15(22)11-20-6-8-21(9-7-20)25(23,24)14-5-3-4-13(17)16(14)18/h3-5,12H,6-11H2,1-2H3,(H,19,22)
InChIKeyBGMDDHJQBVRJME-UHFFFAOYSA-N
XLogP2.07
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.35
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-N-(2-methylpropyl)acetamide (CID 8758218) is 2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)CN1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1.
What is the InChIKey of 2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-N-(2-methylpropyl)acetamide?
The InChIKey is BGMDDHJQBVRJME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl2N3O3S/c1-12(2)10-19-15(22)11-20-6-8-21(9-7-20)25(23,24)14-5-3-4-13(17)16(14)18/h3-5,12H,6-11H2,1-2H3,(H,19,22).
What are the key properties of 2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-N-(2-methylpropyl)acetamide?
2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-N-(2-methylpropyl)acetamide has a molecular weight of 408.35 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 8758218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).