2-[4-(benzenesulfonyl)piperazin-1-yl]ethanol

C12H18N2O3S — CID 668789

IUPAC2-[4-(benzenesulfonyl)piperazin-1-yl]ethanol
SMILESO=S(=O)(c1ccccc1)N1CCN(CCO)CC1
InChIInChI=1S/C12H18N2O3S/c15-11-10-13-6-8-14(9-7-13)18(16,17)12-4-2-1-3-5-12/h1-5,15H,6-11H2
InChIKeyWUPAFAQQVCZXOD-UHFFFAOYSA-N
MW270.35 g/mol
LogP-0.01
Rot. Bonds4

About 2-[4-(benzenesulfonyl)piperazin-1-yl]ethanol

2-[4-(benzenesulfonyl)piperazin-1-yl]ethanol (PubChem CID 668789) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 2-[4-(benzenesulfonyl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(benzenesulfonyl)piperazin-1-yl]ethanol
PubChem CID668789
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name2-[4-(benzenesulfonyl)piperazin-1-yl]ethanol
SMILESO=S(=O)(c1ccccc1)N1CCN(CCO)CC1
InChIInChI=1S/C12H18N2O3S/c15-11-10-13-6-8-14(9-7-13)18(16,17)12-4-2-1-3-5-12/h1-5,15H,6-11H2
InChIKeyWUPAFAQQVCZXOD-UHFFFAOYSA-N
XLogP-0.01
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-Methyl-4-(phenylsulfonyl)piperazine
CID 260251
4-(Phenylsulfonyl)morpholine
CID 95050
N-[1,1-dimethyl-2-(4-morpholinyl)ethyl]benzenesulfonamide
CID 869890
Ethanol, 2,2',2''-nitrilotris-, benzenesulfonate (1:1)
CID 163223
4-(benzenesulfonyl)-N,N-dimethylpiperazine-1-sulfonamide
CID 655863
N-(3-morpholinopropyl)benzenesulfonamide
CID 262189
1-Ethyl-4-[(2-fluorophenyl)sulfonyl]piperazine
CID 697753
2-(4-Tosylpiperazin-1-yl)ethanol
CID 796342
2-[4-(2,4-Difluorophenyl)sulfonylpiperazin-1-ium-1-yl]ethanol;hydrochloride
CID 45479736
2-(4-((4-Fluoro-3-methylphenyl)sulfonyl)piperazin-1-yl)ethanol
CID 16644904
4-(Phenylsulfonimidoyl)morpholine
CID 66572237
1-Cyclopropyl-2-(4-((2-fluorophenyl)sulfonyl)piperazin-1-yl)ethanol
CID 71783511

Frequently Asked Questions

What is the IUPAC name of 2-[4-(benzenesulfonyl)piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-(benzenesulfonyl)piperazin-1-yl]ethanol (CID 668789) is 2-[4-(benzenesulfonyl)piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-(benzenesulfonyl)piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-(benzenesulfonyl)piperazin-1-yl]ethanol is O=S(=O)(c1ccccc1)N1CCN(CCO)CC1.
What is the InChIKey of 2-[4-(benzenesulfonyl)piperazin-1-yl]ethanol?
The InChIKey is WUPAFAQQVCZXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c15-11-10-13-6-8-14(9-7-13)18(16,17)12-4-2-1-3-5-12/h1-5,15H,6-11H2.
What are the key properties of 2-[4-(benzenesulfonyl)piperazin-1-yl]ethanol?
2-[4-(benzenesulfonyl)piperazin-1-yl]ethanol has a molecular weight of 270.35 g/mol, XLogP of -0.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(benzenesulfonyl)piperazin-1-yl]ethanol is sourced from PubChem (CID 668789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).