2-[4-(3-chloro-2-fluorophenyl)sulfonylpiperazin-1-yl]ethanol

C12H16ClFN2O3S — CID 43428221

IUPAC2-[4-(3-chloro-2-fluorophenyl)sulfonylpiperazin-1-yl]ethanol
SMILESO=S(=O)(c1cccc(Cl)c1F)N1CCN(CCO)CC1
InChIInChI=1S/C12H16ClFN2O3S/c13-10-2-1-3-11(12(10)14)20(18,19)16-6-4-15(5-7-16)8-9-17/h1-3,17H,4-9H2
InChIKeyWINFMDRQCUCSSL-UHFFFAOYSA-N
MW322.79 g/mol
LogP0.78
Rot. Bonds4

About 2-[4-(3-chloro-2-fluorophenyl)sulfonylpiperazin-1-yl]ethanol

2-[4-(3-chloro-2-fluorophenyl)sulfonylpiperazin-1-yl]ethanol (PubChem CID 43428221) has the molecular formula C12H16ClFN2O3S and a molecular weight of 322.79 g/mol. Its IUPAC name is 2-[4-(3-chloro-2-fluorophenyl)sulfonylpiperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(3-chloro-2-fluorophenyl)sulfonylpiperazin-1-yl]ethanol
PubChem CID43428221
Molecular FormulaC12H16ClFN2O3S
Molecular Weight322.79 g/mol
Exact Mass322.06
IUPAC Name2-[4-(3-chloro-2-fluorophenyl)sulfonylpiperazin-1-yl]ethanol
SMILESO=S(=O)(c1cccc(Cl)c1F)N1CCN(CCO)CC1
InChIInChI=1S/C12H16ClFN2O3S/c13-10-2-1-3-11(12(10)14)20(18,19)16-6-4-15(5-7-16)8-9-17/h1-3,17H,4-9H2
InChIKeyWINFMDRQCUCSSL-UHFFFAOYSA-N
XLogP0.78
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.79
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(3-chloro-2-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]ethanol
CID 63310054
2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]ethanol
CID 43392116
1-(3-chloro-2-fluorophenyl)sulfonylpiperidine-4-carboxylic acid
CID 43361281
[1-(3-chloro-2-fluorophenyl)sulfonylpiperidin-3-yl]methanol
CID 43589685
2-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonylbenzonitrile
CID 4846784
1-(3-chloro-2-fluorophenyl)sulfonyl-4-[(2-methylphenyl)methyl]-1,4-diazepane
CID 39657963
2-[4-(2,5-difluoro-4-methylphenyl)sulfonylpiperazin-1-yl]ethanol
CID 84591436
[(2R)-1-(3-chloro-2-fluorophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 66260781
2-[4-(5-amino-2-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]ethanol
CID 107212399
(3R)-1-(3-chloro-2-fluorophenyl)sulfonylpyrrolidin-3-amine
CID 94340393
1-(3-chloro-2-fluorophenyl)sulfonyl-4-[(S)-(4-fluorophenyl)-phenylmethyl]piperazine
CID 92772065
N-[2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]ethyl]acetamide
CID 8754411

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chloro-2-fluorophenyl)sulfonylpiperazin-1-yl]ethanol?
The IUPAC name of 2-[4-(3-chloro-2-fluorophenyl)sulfonylpiperazin-1-yl]ethanol (CID 43428221) is 2-[4-(3-chloro-2-fluorophenyl)sulfonylpiperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-(3-chloro-2-fluorophenyl)sulfonylpiperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-(3-chloro-2-fluorophenyl)sulfonylpiperazin-1-yl]ethanol is O=S(=O)(c1cccc(Cl)c1F)N1CCN(CCO)CC1.
What is the InChIKey of 2-[4-(3-chloro-2-fluorophenyl)sulfonylpiperazin-1-yl]ethanol?
The InChIKey is WINFMDRQCUCSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFN2O3S/c13-10-2-1-3-11(12(10)14)20(18,19)16-6-4-15(5-7-16)8-9-17/h1-3,17H,4-9H2.
What are the key properties of 2-[4-(3-chloro-2-fluorophenyl)sulfonylpiperazin-1-yl]ethanol?
2-[4-(3-chloro-2-fluorophenyl)sulfonylpiperazin-1-yl]ethanol has a molecular weight of 322.79 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chloro-2-fluorophenyl)sulfonylpiperazin-1-yl]ethanol is sourced from PubChem (CID 43428221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).