1-[1-(2-chloro-5-fluorophenyl)sulfonylpiperidin-2-yl]ethanol

C13H17ClFNO3S — CID 84590364

IUPAC1-[1-(2-chloro-5-fluorophenyl)sulfonylpiperidin-2-yl]ethanol
SMILESCC(O)C1CCCCN1S(=O)(=O)c1cc(F)ccc1Cl
InChIInChI=1S/C13H17ClFNO3S/c1-9(17)12-4-2-3-7-16(12)20(18,19)13-8-10(15)5-6-11(13)14/h5-6,8-9,12,17H,2-4,7H2,1H3
InChIKeyVJTNXRNONFKHJV-UHFFFAOYSA-N
MW321.80 g/mol
LogP2.40
Rot. Bonds3

About 1-[1-(2-chloro-5-fluorophenyl)sulfonylpiperidin-2-yl]ethanol

1-[1-(2-chloro-5-fluorophenyl)sulfonylpiperidin-2-yl]ethanol (PubChem CID 84590364) has the molecular formula C13H17ClFNO3S and a molecular weight of 321.80 g/mol. Its IUPAC name is 1-[1-(2-chloro-5-fluorophenyl)sulfonylpiperidin-2-yl]ethanol.

Molecular Properties

Compound Name1-[1-(2-chloro-5-fluorophenyl)sulfonylpiperidin-2-yl]ethanol
PubChem CID84590364
Molecular FormulaC13H17ClFNO3S
Molecular Weight321.80 g/mol
Exact Mass321.06
IUPAC Name1-[1-(2-chloro-5-fluorophenyl)sulfonylpiperidin-2-yl]ethanol
SMILESCC(O)C1CCCCN1S(=O)(=O)c1cc(F)ccc1Cl
InChIInChI=1S/C13H17ClFNO3S/c1-9(17)12-4-2-3-7-16(12)20(18,19)13-8-10(15)5-6-11(13)14/h5-6,8-9,12,17H,2-4,7H2,1H3
InChIKeyVJTNXRNONFKHJV-UHFFFAOYSA-N
XLogP2.40
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.80
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[(2S)-1-(2-chloro-5-fluorophenyl)sulfonylpiperidin-2-yl]ethanamine
CID 124570360
1-(2-chloro-5-fluorophenyl)sulfonylazepan-2-amine
CID 105400292
1-(2-chloro-5-fluorophenyl)sulfonylpiperidine-2-carbaldehyde
CID 105400762
(2S)-1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 103862650
(2R)-1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 103862709
1-[1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 103990791
2-[(2S)-1-(2-chloro-5-fluorophenyl)sulfonylpiperidin-2-yl]acetamide
CID 95632899
[1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 115752536
1-[1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidin-2-yl]propan-2-one
CID 105400230
1-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-2-yl]ethanamine;hydrochloride
CID 119965432
2-(3-bromopropyl)-1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidine
CID 105400680
1-(2-chloro-5-fluorophenyl)sulfonyl-2-isocyanatopyrrolidine
CID 105400275

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-chloro-5-fluorophenyl)sulfonylpiperidin-2-yl]ethanol?
The IUPAC name of 1-[1-(2-chloro-5-fluorophenyl)sulfonylpiperidin-2-yl]ethanol (CID 84590364) is 1-[1-(2-chloro-5-fluorophenyl)sulfonylpiperidin-2-yl]ethanol.
What is the SMILES notation for 1-[1-(2-chloro-5-fluorophenyl)sulfonylpiperidin-2-yl]ethanol?
The canonical SMILES for 1-[1-(2-chloro-5-fluorophenyl)sulfonylpiperidin-2-yl]ethanol is CC(O)C1CCCCN1S(=O)(=O)c1cc(F)ccc1Cl.
What is the InChIKey of 1-[1-(2-chloro-5-fluorophenyl)sulfonylpiperidin-2-yl]ethanol?
The InChIKey is VJTNXRNONFKHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFNO3S/c1-9(17)12-4-2-3-7-16(12)20(18,19)13-8-10(15)5-6-11(13)14/h5-6,8-9,12,17H,2-4,7H2,1H3.
What are the key properties of 1-[1-(2-chloro-5-fluorophenyl)sulfonylpiperidin-2-yl]ethanol?
1-[1-(2-chloro-5-fluorophenyl)sulfonylpiperidin-2-yl]ethanol has a molecular weight of 321.80 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-chloro-5-fluorophenyl)sulfonylpiperidin-2-yl]ethanol is sourced from PubChem (CID 84590364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).