1-(2-ethoxyphenyl)sulfonyl-4-(2-pyrazol-1-ylethyl)piperazine

C17H24N4O3S — CID 71783852

IUPAC1-(2-ethoxyphenyl)sulfonyl-4-(2-pyrazol-1-ylethyl)piperazine
SMILESCCOc1ccccc1S(=O)(=O)N1CCN(CCn2cccn2)CC1
InChIInChI=1S/C17H24N4O3S/c1-2-24-16-6-3-4-7-17(16)25(22,23)21-14-11-19(12-15-21)10-13-20-9-5-8-18-20/h3-9H,2,10-15H2,1H3
InChIKeyNFVZVIUPJWJVGZ-UHFFFAOYSA-N
MW364.47 g/mol
LogP1.29
Rot. Bonds7

About 1-(2-ethoxyphenyl)sulfonyl-4-(2-pyrazol-1-ylethyl)piperazine

1-(2-ethoxyphenyl)sulfonyl-4-(2-pyrazol-1-ylethyl)piperazine (PubChem CID 71783852) has the molecular formula C17H24N4O3S and a molecular weight of 364.47 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)sulfonyl-4-(2-pyrazol-1-ylethyl)piperazine.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)sulfonyl-4-(2-pyrazol-1-ylethyl)piperazine
PubChem CID71783852
Molecular FormulaC17H24N4O3S
Molecular Weight364.47 g/mol
Exact Mass364.16
IUPAC Name1-(2-ethoxyphenyl)sulfonyl-4-(2-pyrazol-1-ylethyl)piperazine
SMILESCCOc1ccccc1S(=O)(=O)N1CCN(CCn2cccn2)CC1
InChIInChI=1S/C17H24N4O3S/c1-2-24-16-6-3-4-7-17(16)25(22,23)21-14-11-19(12-15-21)10-13-20-9-5-8-18-20/h3-9H,2,10-15H2,1H3
InChIKeyNFVZVIUPJWJVGZ-UHFFFAOYSA-N
XLogP1.29
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)sulfonyl-4-(2-pyrazol-1-ylethyl)piperazine?
The IUPAC name of 1-(2-ethoxyphenyl)sulfonyl-4-(2-pyrazol-1-ylethyl)piperazine (CID 71783852) is 1-(2-ethoxyphenyl)sulfonyl-4-(2-pyrazol-1-ylethyl)piperazine.
What is the SMILES notation for 1-(2-ethoxyphenyl)sulfonyl-4-(2-pyrazol-1-ylethyl)piperazine?
The canonical SMILES for 1-(2-ethoxyphenyl)sulfonyl-4-(2-pyrazol-1-ylethyl)piperazine is CCOc1ccccc1S(=O)(=O)N1CCN(CCn2cccn2)CC1.
What is the InChIKey of 1-(2-ethoxyphenyl)sulfonyl-4-(2-pyrazol-1-ylethyl)piperazine?
The InChIKey is NFVZVIUPJWJVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3S/c1-2-24-16-6-3-4-7-17(16)25(22,23)21-14-11-19(12-15-21)10-13-20-9-5-8-18-20/h3-9H,2,10-15H2,1H3.
What are the key properties of 1-(2-ethoxyphenyl)sulfonyl-4-(2-pyrazol-1-ylethyl)piperazine?
1-(2-ethoxyphenyl)sulfonyl-4-(2-pyrazol-1-ylethyl)piperazine has a molecular weight of 364.47 g/mol, XLogP of 1.29, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)sulfonyl-4-(2-pyrazol-1-ylethyl)piperazine is sourced from PubChem (CID 71783852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).