1-(3,4-dimethylphenyl)sulfonyl-4-phenylpiperazine

C18H22N2O2S — CID 786037

IUPAC1-(3,4-dimethylphenyl)sulfonyl-4-phenylpiperazine
SMILESCc1ccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1C
InChIInChI=1S/C18H22N2O2S/c1-15-8-9-18(14-16(15)2)23(21,22)20-12-10-19(11-13-20)17-6-4-3-5-7-17/h3-9,14H,10-13H2,1-2H3
InChIKeyVXIZGDVNPMVCLL-UHFFFAOYSA-N
MW330.45 g/mol
LogP2.81
Rot. Bonds3

About 1-(3,4-dimethylphenyl)sulfonyl-4-phenylpiperazine

1-(3,4-dimethylphenyl)sulfonyl-4-phenylpiperazine (PubChem CID 786037) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)sulfonyl-4-phenylpiperazine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)sulfonyl-4-phenylpiperazine
PubChem CID786037
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC Name1-(3,4-dimethylphenyl)sulfonyl-4-phenylpiperazine
SMILESCc1ccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1C
InChIInChI=1S/C18H22N2O2S/c1-15-8-9-18(14-16(15)2)23(21,22)20-12-10-19(11-13-20)17-6-4-3-5-7-17/h3-9,14H,10-13H2,1-2H3
InChIKeyVXIZGDVNPMVCLL-UHFFFAOYSA-N
XLogP2.81
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)sulfonyl-4-phenylpiperazine?
The IUPAC name of 1-(3,4-dimethylphenyl)sulfonyl-4-phenylpiperazine (CID 786037) is 1-(3,4-dimethylphenyl)sulfonyl-4-phenylpiperazine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)sulfonyl-4-phenylpiperazine?
The canonical SMILES for 1-(3,4-dimethylphenyl)sulfonyl-4-phenylpiperazine is Cc1ccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)sulfonyl-4-phenylpiperazine?
The InChIKey is VXIZGDVNPMVCLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-15-8-9-18(14-16(15)2)23(21,22)20-12-10-19(11-13-20)17-6-4-3-5-7-17/h3-9,14H,10-13H2,1-2H3.
What are the key properties of 1-(3,4-dimethylphenyl)sulfonyl-4-phenylpiperazine?
1-(3,4-dimethylphenyl)sulfonyl-4-phenylpiperazine has a molecular weight of 330.45 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)sulfonyl-4-phenylpiperazine is sourced from PubChem (CID 786037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).