(2R)-1-[2-(benzenesulfonyl)ethyl]-2-methyl-4-phenylpiperazine

C19H24N2O2S — CID 97254315

IUPAC(2R)-1-[2-(benzenesulfonyl)ethyl]-2-methyl-4-phenylpiperazine
SMILESC[C@@H]1CN(c2ccccc2)CCN1CCS(=O)(=O)c1ccccc1
InChIInChI=1S/C19H24N2O2S/c1-17-16-21(18-8-4-2-5-9-18)13-12-20(17)14-15-24(22,23)19-10-6-3-7-11-19/h2-11,17H,12-16H2,1H3/t17-/m1/s1
InChIKeyLVRLCYWXVJEPJS-QGZVFWFLSA-N
MW344.48 g/mol
LogP2.67
Rot. Bonds5

About (2R)-1-[2-(benzenesulfonyl)ethyl]-2-methyl-4-phenylpiperazine

(2R)-1-[2-(benzenesulfonyl)ethyl]-2-methyl-4-phenylpiperazine (PubChem CID 97254315) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is (2R)-1-[2-(benzenesulfonyl)ethyl]-2-methyl-4-phenylpiperazine.

Molecular Properties

Compound Name(2R)-1-[2-(benzenesulfonyl)ethyl]-2-methyl-4-phenylpiperazine
PubChem CID97254315
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Name(2R)-1-[2-(benzenesulfonyl)ethyl]-2-methyl-4-phenylpiperazine
SMILESC[C@@H]1CN(c2ccccc2)CCN1CCS(=O)(=O)c1ccccc1
InChIInChI=1S/C19H24N2O2S/c1-17-16-21(18-8-4-2-5-9-18)13-12-20(17)14-15-24(22,23)19-10-6-3-7-11-19/h2-11,17H,12-16H2,1H3/t17-/m1/s1
InChIKeyLVRLCYWXVJEPJS-QGZVFWFLSA-N
XLogP2.67
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-(benzenesulfonyl)ethyl]-2-methyl-4-phenylpiperazine?
The IUPAC name of (2R)-1-[2-(benzenesulfonyl)ethyl]-2-methyl-4-phenylpiperazine (CID 97254315) is (2R)-1-[2-(benzenesulfonyl)ethyl]-2-methyl-4-phenylpiperazine.
What is the SMILES notation for (2R)-1-[2-(benzenesulfonyl)ethyl]-2-methyl-4-phenylpiperazine?
The canonical SMILES for (2R)-1-[2-(benzenesulfonyl)ethyl]-2-methyl-4-phenylpiperazine is C[C@@H]1CN(c2ccccc2)CCN1CCS(=O)(=O)c1ccccc1.
What is the InChIKey of (2R)-1-[2-(benzenesulfonyl)ethyl]-2-methyl-4-phenylpiperazine?
The InChIKey is LVRLCYWXVJEPJS-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-17-16-21(18-8-4-2-5-9-18)13-12-20(17)14-15-24(22,23)19-10-6-3-7-11-19/h2-11,17H,12-16H2,1H3/t17-/m1/s1.
What are the key properties of (2R)-1-[2-(benzenesulfonyl)ethyl]-2-methyl-4-phenylpiperazine?
(2R)-1-[2-(benzenesulfonyl)ethyl]-2-methyl-4-phenylpiperazine has a molecular weight of 344.48 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-(benzenesulfonyl)ethyl]-2-methyl-4-phenylpiperazine is sourced from PubChem (CID 97254315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).