1-benzylsulfonyl-4-phenylpiperazine

C17H20N2O2S — CID 871639

IUPAC1-benzylsulfonyl-4-phenylpiperazine
SMILESO=S(=O)(Cc1ccccc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H20N2O2S/c20-22(21,15-16-7-3-1-4-8-16)19-13-11-18(12-14-19)17-9-5-2-6-10-17/h1-10H,11-15H2
InChIKeyHLGBCSKWGZGQJA-UHFFFAOYSA-N
MW316.43 g/mol
LogP2.34
Rot. Bonds4

About 1-benzylsulfonyl-4-phenylpiperazine

1-benzylsulfonyl-4-phenylpiperazine (PubChem CID 871639) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is 1-benzylsulfonyl-4-phenylpiperazine.

Molecular Properties

Compound Name1-benzylsulfonyl-4-phenylpiperazine
PubChem CID871639
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC Name1-benzylsulfonyl-4-phenylpiperazine
SMILESO=S(=O)(Cc1ccccc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H20N2O2S/c20-22(21,15-16-7-3-1-4-8-16)19-13-11-18(12-14-19)17-9-5-2-6-10-17/h1-10H,11-15H2
InChIKeyHLGBCSKWGZGQJA-UHFFFAOYSA-N
XLogP2.34
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzylsulfonyl-4-phenylpiperazine?
The IUPAC name of 1-benzylsulfonyl-4-phenylpiperazine (CID 871639) is 1-benzylsulfonyl-4-phenylpiperazine.
What is the SMILES notation for 1-benzylsulfonyl-4-phenylpiperazine?
The canonical SMILES for 1-benzylsulfonyl-4-phenylpiperazine is O=S(=O)(Cc1ccccc1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-benzylsulfonyl-4-phenylpiperazine?
The InChIKey is HLGBCSKWGZGQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c20-22(21,15-16-7-3-1-4-8-16)19-13-11-18(12-14-19)17-9-5-2-6-10-17/h1-10H,11-15H2.
What are the key properties of 1-benzylsulfonyl-4-phenylpiperazine?
1-benzylsulfonyl-4-phenylpiperazine has a molecular weight of 316.43 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylsulfonyl-4-phenylpiperazine is sourced from PubChem (CID 871639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).