1-benzyl-4-(2,4-dichlorophenyl)sulfonylpiperazine

C17H18Cl2N2O2S — CID 1075105

IUPAC1-benzyl-4-(2,4-dichlorophenyl)sulfonylpiperazine
SMILESO=S(=O)(c1ccc(Cl)cc1Cl)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C17H18Cl2N2O2S/c18-15-6-7-17(16(19)12-15)24(22,23)21-10-8-20(9-11-21)13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2
InChIKeyAINOSNVWOHLSMQ-UHFFFAOYSA-N
MW385.32 g/mol
LogP3.50
Rot. Bonds4

About 1-benzyl-4-(2,4-dichlorophenyl)sulfonylpiperazine

1-benzyl-4-(2,4-dichlorophenyl)sulfonylpiperazine (PubChem CID 1075105) has the molecular formula C17H18Cl2N2O2S and a molecular weight of 385.32 g/mol. Its IUPAC name is 1-benzyl-4-(2,4-dichlorophenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-benzyl-4-(2,4-dichlorophenyl)sulfonylpiperazine
PubChem CID1075105
Molecular FormulaC17H18Cl2N2O2S
Molecular Weight385.32 g/mol
Exact Mass384.05
IUPAC Name1-benzyl-4-(2,4-dichlorophenyl)sulfonylpiperazine
SMILESO=S(=O)(c1ccc(Cl)cc1Cl)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C17H18Cl2N2O2S/c18-15-6-7-17(16(19)12-15)24(22,23)21-10-8-20(9-11-21)13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2
InChIKeyAINOSNVWOHLSMQ-UHFFFAOYSA-N
XLogP3.50
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.32
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(2,4-dichlorophenyl)sulfonylpiperazine?
The IUPAC name of 1-benzyl-4-(2,4-dichlorophenyl)sulfonylpiperazine (CID 1075105) is 1-benzyl-4-(2,4-dichlorophenyl)sulfonylpiperazine.
What is the SMILES notation for 1-benzyl-4-(2,4-dichlorophenyl)sulfonylpiperazine?
The canonical SMILES for 1-benzyl-4-(2,4-dichlorophenyl)sulfonylpiperazine is O=S(=O)(c1ccc(Cl)cc1Cl)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-4-(2,4-dichlorophenyl)sulfonylpiperazine?
The InChIKey is AINOSNVWOHLSMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O2S/c18-15-6-7-17(16(19)12-15)24(22,23)21-10-8-20(9-11-21)13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2.
What are the key properties of 1-benzyl-4-(2,4-dichlorophenyl)sulfonylpiperazine?
1-benzyl-4-(2,4-dichlorophenyl)sulfonylpiperazine has a molecular weight of 385.32 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(2,4-dichlorophenyl)sulfonylpiperazine is sourced from PubChem (CID 1075105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).