[1-(4-ethylphenyl)sulfonylpiperazin-2-yl]methanol

C13H20N2O3S — CID 71140603

IUPAC[1-(4-ethylphenyl)sulfonylpiperazin-2-yl]methanol
SMILESCCc1ccc(S(=O)(=O)N2CCNCC2CO)cc1
InChIInChI=1S/C13H20N2O3S/c1-2-11-3-5-13(6-4-11)19(17,18)15-8-7-14-9-12(15)10-16/h3-6,12,14,16H,2,7-10H2,1H3
InChIKeyXLHZBLJZFIACLQ-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.20
Rot. Bonds4

About [1-(4-ethylphenyl)sulfonylpiperazin-2-yl]methanol

[1-(4-ethylphenyl)sulfonylpiperazin-2-yl]methanol (PubChem CID 71140603) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is [1-(4-ethylphenyl)sulfonylpiperazin-2-yl]methanol.

Molecular Properties

Compound Name[1-(4-ethylphenyl)sulfonylpiperazin-2-yl]methanol
PubChem CID71140603
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name[1-(4-ethylphenyl)sulfonylpiperazin-2-yl]methanol
SMILESCCc1ccc(S(=O)(=O)N2CCNCC2CO)cc1
InChIInChI=1S/C13H20N2O3S/c1-2-11-3-5-13(6-4-11)19(17,18)15-8-7-14-9-12(15)10-16/h3-6,12,14,16H,2,7-10H2,1H3
InChIKeyXLHZBLJZFIACLQ-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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Related Compounds

1-(4-Methylbenzenesulfonyl)piperazine
CID 704295
1-Morpholino-2-(p-toluenesulfonyl)aminoethane
CID 567713
N-(1-(Hydroxymethyl)propyl)-4-methylbenzenesulfonamide
CID 3692570
N-(2-Hydroxyethyl)-N-(3-hydroxypropyl)-p-toluenesulphonamide
CID 81421
N-(1,1-Dimethyl-2-piperazin-1-yl-ethyl)-4-methyl-benzenesulfonamide
CID 786538
4-methyl-N-[3-(morpholin-4-yl)propyl]benzenesulfonamide
CID 262188
2-(4-Tosylpiperazin-1-yl)ethanol
CID 796342
1-[(4-Propylphenyl)sulfonyl]piperazine
CID 2492743
(2S)-3-methyl-2-(p-tolylsulfonylamino)butanol
CID 10106521
N-[(2S)-1-hydroxypropan-2-yl]-4-methylbenzenesulfonamide
CID 11085574
N-[1-(hydroxymethyl)propyl]-N-[2-[1-(hydroxymethyl)propyl-(p-tolylsulfonyl)amino]ethyl]-4-methyl-benzenesulfonamide
CID 469960
2-fluoro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-4-methylbenzenesulfonamide
CID 71911386

Frequently Asked Questions

What is the IUPAC name of [1-(4-ethylphenyl)sulfonylpiperazin-2-yl]methanol?
The IUPAC name of [1-(4-ethylphenyl)sulfonylpiperazin-2-yl]methanol (CID 71140603) is [1-(4-ethylphenyl)sulfonylpiperazin-2-yl]methanol.
What is the SMILES notation for [1-(4-ethylphenyl)sulfonylpiperazin-2-yl]methanol?
The canonical SMILES for [1-(4-ethylphenyl)sulfonylpiperazin-2-yl]methanol is CCc1ccc(S(=O)(=O)N2CCNCC2CO)cc1.
What is the InChIKey of [1-(4-ethylphenyl)sulfonylpiperazin-2-yl]methanol?
The InChIKey is XLHZBLJZFIACLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-2-11-3-5-13(6-4-11)19(17,18)15-8-7-14-9-12(15)10-16/h3-6,12,14,16H,2,7-10H2,1H3.
What are the key properties of [1-(4-ethylphenyl)sulfonylpiperazin-2-yl]methanol?
[1-(4-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 [1-(4-ethylphenyl)sulfonylpiperazin-2-yl]methanol is sourced from PubChem (CID 71140603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).