1-(benzenesulfonyl)-4-(2-methylphenyl)piperazine

C17H20N2O2S — CID 740952

IUPAC1-(benzenesulfonyl)-4-(2-methylphenyl)piperazine
SMILESCc1ccccc1N1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C17H20N2O2S/c1-15-7-5-6-10-17(15)18-11-13-19(14-12-18)22(20,21)16-8-3-2-4-9-16/h2-10H,11-14H2,1H3
InChIKeyLHZKIJOVBGFZJL-UHFFFAOYSA-N
MW316.43 g/mol
LogP2.51
Rot. Bonds3

About 1-(benzenesulfonyl)-4-(2-methylphenyl)piperazine

1-(benzenesulfonyl)-4-(2-methylphenyl)piperazine (PubChem CID 740952) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-4-(2-methylphenyl)piperazine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-4-(2-methylphenyl)piperazine
PubChem CID740952
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC Name1-(benzenesulfonyl)-4-(2-methylphenyl)piperazine
SMILESCc1ccccc1N1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C17H20N2O2S/c1-15-7-5-6-10-17(15)18-11-13-19(14-12-18)22(20,21)16-8-3-2-4-9-16/h2-10H,11-14H2,1H3
InChIKeyLHZKIJOVBGFZJL-UHFFFAOYSA-N
XLogP2.51
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-4-(2-methylphenyl)piperazine?
The IUPAC name of 1-(benzenesulfonyl)-4-(2-methylphenyl)piperazine (CID 740952) is 1-(benzenesulfonyl)-4-(2-methylphenyl)piperazine.
What is the SMILES notation for 1-(benzenesulfonyl)-4-(2-methylphenyl)piperazine?
The canonical SMILES for 1-(benzenesulfonyl)-4-(2-methylphenyl)piperazine is Cc1ccccc1N1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 1-(benzenesulfonyl)-4-(2-methylphenyl)piperazine?
The InChIKey is LHZKIJOVBGFZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-15-7-5-6-10-17(15)18-11-13-19(14-12-18)22(20,21)16-8-3-2-4-9-16/h2-10H,11-14H2,1H3.
What are the key properties of 1-(benzenesulfonyl)-4-(2-methylphenyl)piperazine?
1-(benzenesulfonyl)-4-(2-methylphenyl)piperazine has a molecular weight of 316.43 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-4-(2-methylphenyl)piperazine is sourced from PubChem (CID 740952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).