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

C18H30N2O3S — CID 84558276

IUPAC2-[4-(4-hexylphenyl)sulfonylpiperazin-1-yl]ethanol
SMILESCCCCCCc1ccc(S(=O)(=O)N2CCN(CCO)CC2)cc1
InChIInChI=1S/C18H30N2O3S/c1-2-3-4-5-6-17-7-9-18(10-8-17)24(22,23)20-13-11-19(12-14-20)15-16-21/h7-10,21H,2-6,11-16H2,1H3
InChIKeyRBEPVGCSYKRQPH-UHFFFAOYSA-N
MW354.52 g/mol
LogP2.11
Rot. Bonds9

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

2-[4-(4-hexylphenyl)sulfonylpiperazin-1-yl]ethanol (PubChem CID 84558276) has the molecular formula C18H30N2O3S and a molecular weight of 354.52 g/mol. Its IUPAC name is 2-[4-(4-hexylphenyl)sulfonylpiperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(4-hexylphenyl)sulfonylpiperazin-1-yl]ethanol
PubChem CID84558276
Molecular FormulaC18H30N2O3S
Molecular Weight354.52 g/mol
Exact Mass354.20
IUPAC Name2-[4-(4-hexylphenyl)sulfonylpiperazin-1-yl]ethanol
SMILESCCCCCCc1ccc(S(=O)(=O)N2CCN(CCO)CC2)cc1
InChIInChI=1S/C18H30N2O3S/c1-2-3-4-5-6-17-7-9-18(10-8-17)24(22,23)20-13-11-19(12-14-20)15-16-21/h7-10,21H,2-6,11-16H2,1H3
InChIKeyRBEPVGCSYKRQPH-UHFFFAOYSA-N
XLogP2.11
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.52
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-butylphenyl)sulfonyl-4-(4-propylphenyl)sulfonylpiperazine
CID 19684728
4-(4-hexylphenyl)sulfonylmorpholine
CID 84557725
ethyl 2-[4-(4-pentylphenyl)sulfonylpiperazin-1-yl]acetate
CID 3850951
1-(4-butylphenyl)sulfonyl-4-(4-methylphenyl)sulfonylpiperazine
CID 17377884
1-(4-butylphenyl)sulfonylpiperidin-4-one
CID 59565035
4-octatriacontylbenzenesulfonic acid
CID 101306527
4-pentatetracontylbenzenesulfonic acid
CID 101306652
4-heptacosylbenzenesulfonic acid
CID 101306334
sodium;hypochlorous acid;4-tetradecylbenzenesulfonic acid
CID 22053348
2-[4-(4-pyrrolidin-1-ylphenyl)sulfonylpiperazin-1-yl]ethanol
CID 168512153
2-[4-(3-amino-4-ethylphenyl)sulfonylpiperazin-1-yl]ethanol
CID 43501281
1-(4-methylphenyl)sulfonyl-4-(3-phenylpropyl)piperazine
CID 1072237

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-hexylphenyl)sulfonylpiperazin-1-yl]ethanol?
The IUPAC name of 2-[4-(4-hexylphenyl)sulfonylpiperazin-1-yl]ethanol (CID 84558276) is 2-[4-(4-hexylphenyl)sulfonylpiperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-(4-hexylphenyl)sulfonylpiperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-(4-hexylphenyl)sulfonylpiperazin-1-yl]ethanol is CCCCCCc1ccc(S(=O)(=O)N2CCN(CCO)CC2)cc1.
What is the InChIKey of 2-[4-(4-hexylphenyl)sulfonylpiperazin-1-yl]ethanol?
The InChIKey is RBEPVGCSYKRQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O3S/c1-2-3-4-5-6-17-7-9-18(10-8-17)24(22,23)20-13-11-19(12-14-20)15-16-21/h7-10,21H,2-6,11-16H2,1H3.
What are the key properties of 2-[4-(4-hexylphenyl)sulfonylpiperazin-1-yl]ethanol?
2-[4-(4-hexylphenyl)sulfonylpiperazin-1-yl]ethanol has a molecular weight of 354.52 g/mol, XLogP of 2.11, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-hexylphenyl)sulfonylpiperazin-1-yl]ethanol is sourced from PubChem (CID 84558276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).