2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanol

C13H20N2O3S — CID 796342

IUPAC2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanol
SMILESCc1ccc(S(=O)(=O)N2CCN(CCO)CC2)cc1
InChIInChI=1S/C13H20N2O3S/c1-12-2-4-13(5-3-12)19(17,18)15-8-6-14(7-9-15)10-11-16/h2-5,16H,6-11H2,1H3
InChIKeyGJAGYOKCNZTDQN-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.29
Rot. Bonds4

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

2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanol (PubChem CID 796342) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanol
PubChem CID796342
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanol
SMILESCc1ccc(S(=O)(=O)N2CCN(CCO)CC2)cc1
InChIInChI=1S/C13H20N2O3S/c1-12-2-4-13(5-3-12)19(17,18)15-8-6-14(7-9-15)10-11-16/h2-5,16H,6-11H2,1H3
InChIKeyGJAGYOKCNZTDQN-UHFFFAOYSA-N
XLogP0.29
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanol?
The IUPAC name of 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanol (CID 796342) is 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanol is Cc1ccc(S(=O)(=O)N2CCN(CCO)CC2)cc1.
What is the InChIKey of 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanol?
The InChIKey is GJAGYOKCNZTDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-12-2-4-13(5-3-12)19(17,18)15-8-6-14(7-9-15)10-11-16/h2-5,16H,6-11H2,1H3.
What are the key properties of 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanol?
2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanol has a molecular weight of 284.38 g/mol, XLogP of 0.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanol is sourced from PubChem (CID 796342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).