1-(benzenesulfonyl)-4-benzylpiperazine

C17H20N2O2S — CID 711024

IUPAC1-(benzenesulfonyl)-4-benzylpiperazine
SMILESO=S(=O)(c1ccccc1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C17H20N2O2S/c20-22(21,17-9-5-2-6-10-17)19-13-11-18(12-14-19)15-16-7-3-1-4-8-16/h1-10H,11-15H2
InChIKeyBLBMBKATZISMKR-UHFFFAOYSA-N
MW316.43 g/mol
LogP2.19
Rot. Bonds4

About 1-(benzenesulfonyl)-4-benzylpiperazine

1-(benzenesulfonyl)-4-benzylpiperazine (PubChem CID 711024) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-4-benzylpiperazine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-4-benzylpiperazine
PubChem CID711024
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC Name1-(benzenesulfonyl)-4-benzylpiperazine
SMILESO=S(=O)(c1ccccc1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C17H20N2O2S/c20-22(21,17-9-5-2-6-10-17)19-13-11-18(12-14-19)15-16-7-3-1-4-8-16/h1-10H,11-15H2
InChIKeyBLBMBKATZISMKR-UHFFFAOYSA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-4-benzylpiperazine?
The IUPAC name of 1-(benzenesulfonyl)-4-benzylpiperazine (CID 711024) is 1-(benzenesulfonyl)-4-benzylpiperazine.
What is the SMILES notation for 1-(benzenesulfonyl)-4-benzylpiperazine?
The canonical SMILES for 1-(benzenesulfonyl)-4-benzylpiperazine is O=S(=O)(c1ccccc1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-(benzenesulfonyl)-4-benzylpiperazine?
The InChIKey is BLBMBKATZISMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c20-22(21,17-9-5-2-6-10-17)19-13-11-18(12-14-19)15-16-7-3-1-4-8-16/h1-10H,11-15H2.
What are the key properties of 1-(benzenesulfonyl)-4-benzylpiperazine?
1-(benzenesulfonyl)-4-benzylpiperazine has a molecular weight of 316.43 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-4-benzylpiperazine is sourced from PubChem (CID 711024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).