1-benzyl-4-(4-chlorophenyl)sulfonylpiperazine

C17H19ClN2O2S — CID 985373

IUPAC1-benzyl-4-(4-chlorophenyl)sulfonylpiperazine
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C17H19ClN2O2S/c18-16-6-8-17(9-7-16)23(21,22)20-12-10-19(11-13-20)14-15-4-2-1-3-5-15/h1-9H,10-14H2
InChIKeyCJZZSVCCBZWMCS-UHFFFAOYSA-N
MW350.87 g/mol
LogP2.85
Rot. Bonds4

About 1-benzyl-4-(4-chlorophenyl)sulfonylpiperazine

1-benzyl-4-(4-chlorophenyl)sulfonylpiperazine (PubChem CID 985373) has the molecular formula C17H19ClN2O2S and a molecular weight of 350.87 g/mol. Its IUPAC name is 1-benzyl-4-(4-chlorophenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-benzyl-4-(4-chlorophenyl)sulfonylpiperazine
PubChem CID985373
Molecular FormulaC17H19ClN2O2S
Molecular Weight350.87 g/mol
Exact Mass350.09
IUPAC Name1-benzyl-4-(4-chlorophenyl)sulfonylpiperazine
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C17H19ClN2O2S/c18-16-6-8-17(9-7-16)23(21,22)20-12-10-19(11-13-20)14-15-4-2-1-3-5-15/h1-9H,10-14H2
InChIKeyCJZZSVCCBZWMCS-UHFFFAOYSA-N
XLogP2.85
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.87
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(4-chlorophenyl)sulfonylpiperazine?
The IUPAC name of 1-benzyl-4-(4-chlorophenyl)sulfonylpiperazine (CID 985373) is 1-benzyl-4-(4-chlorophenyl)sulfonylpiperazine.
What is the SMILES notation for 1-benzyl-4-(4-chlorophenyl)sulfonylpiperazine?
The canonical SMILES for 1-benzyl-4-(4-chlorophenyl)sulfonylpiperazine is O=S(=O)(c1ccc(Cl)cc1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-4-(4-chlorophenyl)sulfonylpiperazine?
The InChIKey is CJZZSVCCBZWMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2S/c18-16-6-8-17(9-7-16)23(21,22)20-12-10-19(11-13-20)14-15-4-2-1-3-5-15/h1-9H,10-14H2.
What are the key properties of 1-benzyl-4-(4-chlorophenyl)sulfonylpiperazine?
1-benzyl-4-(4-chlorophenyl)sulfonylpiperazine has a molecular weight of 350.87 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(4-chlorophenyl)sulfonylpiperazine is sourced from PubChem (CID 985373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).