2-hydroxy-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone

C13H18N2O4S — CID 16769203

IUPAC2-hydroxy-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)CO)CC2)cc1
InChIInChI=1S/C13H18N2O4S/c1-11-2-4-12(5-3-11)20(18,19)15-8-6-14(7-9-15)13(17)10-16/h2-5,16H,6-10H2,1H3
InChIKeyTWMZNVLCEGTYTA-UHFFFAOYSA-N
MW298.36 g/mol
LogP-0.18
Rot. Bonds3

About 2-hydroxy-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone

2-hydroxy-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone (PubChem CID 16769203) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is 2-hydroxy-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-hydroxy-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone
PubChem CID16769203
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC Name2-hydroxy-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)CO)CC2)cc1
InChIInChI=1S/C13H18N2O4S/c1-11-2-4-12(5-3-11)20(18,19)15-8-6-14(7-9-15)13(17)10-16/h2-5,16H,6-10H2,1H3
InChIKeyTWMZNVLCEGTYTA-UHFFFAOYSA-N
XLogP-0.18
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 9495897
1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-methylsulfanylethanone
CID 9495863
3,3-dimethyl-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 2106955
2-amino-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone;hydrochloride
CID 119265301
1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pentan-1-one
CID 17191316
1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 9326847
1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-propylsulfanylethanone
CID 55821892
[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-pyrrolidin-1-ylmethanone
CID 849899
2-[(1R)-cyclopent-2-en-1-yl]-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 9368511
1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylethanone
CID 8922837
N-(2,2-dimethylpropyl)-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
CID 110811075
3-methylbutyl-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]azanium
CID 7407226

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone?
The IUPAC name of 2-hydroxy-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone (CID 16769203) is 2-hydroxy-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone.
What is the SMILES notation for 2-hydroxy-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone?
The canonical SMILES for 2-hydroxy-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone is Cc1ccc(S(=O)(=O)N2CCN(C(=O)CO)CC2)cc1.
What is the InChIKey of 2-hydroxy-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone?
The InChIKey is TWMZNVLCEGTYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-11-2-4-12(5-3-11)20(18,19)15-8-6-14(7-9-15)13(17)10-16/h2-5,16H,6-10H2,1H3.
What are the key properties of 2-hydroxy-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone?
2-hydroxy-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone has a molecular weight of 298.36 g/mol, XLogP of -0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone is sourced from PubChem (CID 16769203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).