1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-pyrazin-2-ylpropan-1-one

C18H22N4O3S — CID 29048632

IUPAC1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-pyrazin-2-ylpropan-1-one
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)CCc3cnccn3)CC2)cc1
InChIInChI=1S/C18H22N4O3S/c1-15-2-5-17(6-3-15)26(24,25)22-12-10-21(11-13-22)18(23)7-4-16-14-19-8-9-20-16/h2-3,5-6,8-9,14H,4,7,10-13H2,1H3
InChIKeyBOVUBNOZCNRMPE-UHFFFAOYSA-N
MW374.47 g/mol
LogP1.25
Rot. Bonds5

About 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-pyrazin-2-ylpropan-1-one

1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-pyrazin-2-ylpropan-1-one (PubChem CID 29048632) has the molecular formula C18H22N4O3S and a molecular weight of 374.47 g/mol. Its IUPAC name is 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-pyrazin-2-ylpropan-1-one.

Molecular Properties

Compound Name1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-pyrazin-2-ylpropan-1-one
PubChem CID29048632
Molecular FormulaC18H22N4O3S
Molecular Weight374.47 g/mol
Exact Mass374.14
IUPAC Name1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-pyrazin-2-ylpropan-1-one
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)CCc3cnccn3)CC2)cc1
InChIInChI=1S/C18H22N4O3S/c1-15-2-5-17(6-3-15)26(24,25)22-12-10-21(11-13-22)18(23)7-4-16-14-19-8-9-20-16/h2-3,5-6,8-9,14H,4,7,10-13H2,1H3
InChIKeyBOVUBNOZCNRMPE-UHFFFAOYSA-N
XLogP1.25
TPSA83.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-pyrazin-2-ylpropan-1-one?
The IUPAC name of 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-pyrazin-2-ylpropan-1-one (CID 29048632) is 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-pyrazin-2-ylpropan-1-one.
What is the SMILES notation for 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-pyrazin-2-ylpropan-1-one?
The canonical SMILES for 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-pyrazin-2-ylpropan-1-one is Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCc3cnccn3)CC2)cc1.
What is the InChIKey of 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-pyrazin-2-ylpropan-1-one?
The InChIKey is BOVUBNOZCNRMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3S/c1-15-2-5-17(6-3-15)26(24,25)22-12-10-21(11-13-22)18(23)7-4-16-14-19-8-9-20-16/h2-3,5-6,8-9,14H,4,7,10-13H2,1H3.
What are the key properties of 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-pyrazin-2-ylpropan-1-one?
1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-pyrazin-2-ylpropan-1-one has a molecular weight of 374.47 g/mol, XLogP of 1.25, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-pyrazin-2-ylpropan-1-one is sourced from PubChem (CID 29048632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).