[4-(2-ethylphenyl)sulfonylpiperazin-2-yl]methanol

C13H20N2O3S — CID 118549383

IUPAC[4-(2-ethylphenyl)sulfonylpiperazin-2-yl]methanol
SMILESCCc1ccccc1S(=O)(=O)N1CCNC(CO)C1
InChIInChI=1S/C13H20N2O3S/c1-2-11-5-3-4-6-13(11)19(17,18)15-8-7-14-12(9-15)10-16/h3-6,12,14,16H,2,7-10H2,1H3
InChIKeyYJEKLISZGJEETO-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.20
Rot. Bonds4

About [4-(2-ethylphenyl)sulfonylpiperazin-2-yl]methanol

[4-(2-ethylphenyl)sulfonylpiperazin-2-yl]methanol (PubChem CID 118549383) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is [4-(2-ethylphenyl)sulfonylpiperazin-2-yl]methanol.

Molecular Properties

Compound Name[4-(2-ethylphenyl)sulfonylpiperazin-2-yl]methanol
PubChem CID118549383
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name[4-(2-ethylphenyl)sulfonylpiperazin-2-yl]methanol
SMILESCCc1ccccc1S(=O)(=O)N1CCNC(CO)C1
InChIInChI=1S/C13H20N2O3S/c1-2-11-5-3-4-6-13(11)19(17,18)15-8-7-14-12(9-15)10-16/h3-6,12,14,16H,2,7-10H2,1H3
InChIKeyYJEKLISZGJEETO-UHFFFAOYSA-N
XLogP0.20
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(2-ethylphenyl)sulfonylpiperazin-2-yl]methanol?
The IUPAC name of [4-(2-ethylphenyl)sulfonylpiperazin-2-yl]methanol (CID 118549383) is [4-(2-ethylphenyl)sulfonylpiperazin-2-yl]methanol.
What is the SMILES notation for [4-(2-ethylphenyl)sulfonylpiperazin-2-yl]methanol?
The canonical SMILES for [4-(2-ethylphenyl)sulfonylpiperazin-2-yl]methanol is CCc1ccccc1S(=O)(=O)N1CCNC(CO)C1.
What is the InChIKey of [4-(2-ethylphenyl)sulfonylpiperazin-2-yl]methanol?
The InChIKey is YJEKLISZGJEETO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-2-11-5-3-4-6-13(11)19(17,18)15-8-7-14-12(9-15)10-16/h3-6,12,14,16H,2,7-10H2,1H3.
What are the key properties of [4-(2-ethylphenyl)sulfonylpiperazin-2-yl]methanol?
[4-(2-ethylphenyl)sulfonylpiperazin-2-yl]methanol has a molecular weight of 284.38 g/mol, XLogP of 0.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-ethylphenyl)sulfonylpiperazin-2-yl]methanol is sourced from PubChem (CID 118549383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).