1-(2,4-dimethylphenyl)sulfonyl-4-(2-pyrazol-1-ylethyl)piperazine

C17H24N4O2S — CID 71783846

IUPAC1-(2,4-dimethylphenyl)sulfonyl-4-(2-pyrazol-1-ylethyl)piperazine
SMILESCc1ccc(S(=O)(=O)N2CCN(CCn3cccn3)CC2)c(C)c1
InChIInChI=1S/C17H24N4O2S/c1-15-4-5-17(16(2)14-15)24(22,23)21-12-9-19(10-13-21)8-11-20-7-3-6-18-20/h3-7,14H,8-13H2,1-2H3
InChIKeyVBWYCBNNYGWLKY-UHFFFAOYSA-N
MW348.47 g/mol
LogP1.51
Rot. Bonds5

About 1-(2,4-dimethylphenyl)sulfonyl-4-(2-pyrazol-1-ylethyl)piperazine

1-(2,4-dimethylphenyl)sulfonyl-4-(2-pyrazol-1-ylethyl)piperazine (PubChem CID 71783846) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)sulfonyl-4-(2-pyrazol-1-ylethyl)piperazine.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)sulfonyl-4-(2-pyrazol-1-ylethyl)piperazine
PubChem CID71783846
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC Name1-(2,4-dimethylphenyl)sulfonyl-4-(2-pyrazol-1-ylethyl)piperazine
SMILESCc1ccc(S(=O)(=O)N2CCN(CCn3cccn3)CC2)c(C)c1
InChIInChI=1S/C17H24N4O2S/c1-15-4-5-17(16(2)14-15)24(22,23)21-12-9-19(10-13-21)8-11-20-7-3-6-18-20/h3-7,14H,8-13H2,1-2H3
InChIKeyVBWYCBNNYGWLKY-UHFFFAOYSA-N
XLogP1.51
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)sulfonyl-4-(2-pyrazol-1-ylethyl)piperazine?
The IUPAC name of 1-(2,4-dimethylphenyl)sulfonyl-4-(2-pyrazol-1-ylethyl)piperazine (CID 71783846) is 1-(2,4-dimethylphenyl)sulfonyl-4-(2-pyrazol-1-ylethyl)piperazine.
What is the SMILES notation for 1-(2,4-dimethylphenyl)sulfonyl-4-(2-pyrazol-1-ylethyl)piperazine?
The canonical SMILES for 1-(2,4-dimethylphenyl)sulfonyl-4-(2-pyrazol-1-ylethyl)piperazine is Cc1ccc(S(=O)(=O)N2CCN(CCn3cccn3)CC2)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)sulfonyl-4-(2-pyrazol-1-ylethyl)piperazine?
The InChIKey is VBWYCBNNYGWLKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-15-4-5-17(16(2)14-15)24(22,23)21-12-9-19(10-13-21)8-11-20-7-3-6-18-20/h3-7,14H,8-13H2,1-2H3.
What are the key properties of 1-(2,4-dimethylphenyl)sulfonyl-4-(2-pyrazol-1-ylethyl)piperazine?
1-(2,4-dimethylphenyl)sulfonyl-4-(2-pyrazol-1-ylethyl)piperazine has a molecular weight of 348.47 g/mol, XLogP of 1.51, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)sulfonyl-4-(2-pyrazol-1-ylethyl)piperazine is sourced from PubChem (CID 71783846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).