2-[4-(4-pyrrolidin-1-ylphenyl)sulfonylpiperazin-1-yl]ethanol

C16H25N3O3S — CID 168512153

IUPAC2-[4-(4-pyrrolidin-1-ylphenyl)sulfonylpiperazin-1-yl]ethanol
SMILESO=S(=O)(c1ccc(N2CCCC2)cc1)N1CCN(CCO)CC1
InChIInChI=1S/C16H25N3O3S/c20-14-13-17-9-11-19(12-10-17)23(21,22)16-5-3-15(4-6-16)18-7-1-2-8-18/h3-6,20H,1-2,7-14H2
InChIKeyHRHGDWICOCCQJK-UHFFFAOYSA-N
MW339.46 g/mol
LogP0.59
Rot. Bonds5

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

2-[4-(4-pyrrolidin-1-ylphenyl)sulfonylpiperazin-1-yl]ethanol (PubChem CID 168512153) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is 2-[4-(4-pyrrolidin-1-ylphenyl)sulfonylpiperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(4-pyrrolidin-1-ylphenyl)sulfonylpiperazin-1-yl]ethanol
PubChem CID168512153
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC Name2-[4-(4-pyrrolidin-1-ylphenyl)sulfonylpiperazin-1-yl]ethanol
SMILESO=S(=O)(c1ccc(N2CCCC2)cc1)N1CCN(CCO)CC1
InChIInChI=1S/C16H25N3O3S/c20-14-13-17-9-11-19(12-10-17)23(21,22)16-5-3-15(4-6-16)18-7-1-2-8-18/h3-6,20H,1-2,7-14H2
InChIKeyHRHGDWICOCCQJK-UHFFFAOYSA-N
XLogP0.59
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(2-hydroxyethyl)piperazin-1-yl]benzenesulfonic acid
CID 22147110
4-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-N-methylbenzenesulfonamide
CID 63310106
2-[4-[6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]ethanol
CID 121052957
2-[4-(4-propylsulfonylphenyl)piperazin-1-yl]ethanol
CID 61151230
[4-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonylphenyl]thiourea
CID 169356209
2-[4-(4-hexylphenyl)sulfonylpiperazin-1-yl]ethanol
CID 84558276
2-[4-(3-amino-4-ethylphenyl)sulfonylpiperazin-1-yl]ethanol
CID 43501281
2-[4-(3-amino-4-fluorophenyl)sulfonylpiperazin-1-yl]ethanol
CID 43501311
2-[4-(3-chloro-4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]ethanol
CID 63310097
1-(4-fluorophenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)piperazine
CID 648905
4-amino-5-[4-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonylphenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169327247
4-[4-(4-hydroxybutyl)piperazin-1-yl]benzenesulfonic acid
CID 91297710

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-pyrrolidin-1-ylphenyl)sulfonylpiperazin-1-yl]ethanol?
The IUPAC name of 2-[4-(4-pyrrolidin-1-ylphenyl)sulfonylpiperazin-1-yl]ethanol (CID 168512153) is 2-[4-(4-pyrrolidin-1-ylphenyl)sulfonylpiperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-(4-pyrrolidin-1-ylphenyl)sulfonylpiperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-(4-pyrrolidin-1-ylphenyl)sulfonylpiperazin-1-yl]ethanol is O=S(=O)(c1ccc(N2CCCC2)cc1)N1CCN(CCO)CC1.
What is the InChIKey of 2-[4-(4-pyrrolidin-1-ylphenyl)sulfonylpiperazin-1-yl]ethanol?
The InChIKey is HRHGDWICOCCQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c20-14-13-17-9-11-19(12-10-17)23(21,22)16-5-3-15(4-6-16)18-7-1-2-8-18/h3-6,20H,1-2,7-14H2.
What are the key properties of 2-[4-(4-pyrrolidin-1-ylphenyl)sulfonylpiperazin-1-yl]ethanol?
2-[4-(4-pyrrolidin-1-ylphenyl)sulfonylpiperazin-1-yl]ethanol has a molecular weight of 339.46 g/mol, XLogP of 0.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-pyrrolidin-1-ylphenyl)sulfonylpiperazin-1-yl]ethanol is sourced from PubChem (CID 168512153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).