1-[1-(8-chloroquinolin-5-yl)sulfonylpiperidin-2-yl]ethanol

C16H19ClN2O3S — CID 75433590

IUPAC1-[1-(8-chloroquinolin-5-yl)sulfonylpiperidin-2-yl]ethanol
SMILESCC(O)C1CCCCN1S(=O)(=O)c1ccc(Cl)c2ncccc12
InChIInChI=1S/C16H19ClN2O3S/c1-11(20)14-6-2-3-10-19(14)23(21,22)15-8-7-13(17)16-12(15)5-4-9-18-16/h4-5,7-9,11,14,20H,2-3,6,10H2,1H3
InChIKeyNGGOWOOSPGXDKI-UHFFFAOYSA-N
MW354.86 g/mol
LogP2.81
Rot. Bonds3

About 1-[1-(8-chloroquinolin-5-yl)sulfonylpiperidin-2-yl]ethanol

1-[1-(8-chloroquinolin-5-yl)sulfonylpiperidin-2-yl]ethanol (PubChem CID 75433590) has the molecular formula C16H19ClN2O3S and a molecular weight of 354.86 g/mol. Its IUPAC name is 1-[1-(8-chloroquinolin-5-yl)sulfonylpiperidin-2-yl]ethanol.

Molecular Properties

Compound Name1-[1-(8-chloroquinolin-5-yl)sulfonylpiperidin-2-yl]ethanol
PubChem CID75433590
Molecular FormulaC16H19ClN2O3S
Molecular Weight354.86 g/mol
Exact Mass354.08
IUPAC Name1-[1-(8-chloroquinolin-5-yl)sulfonylpiperidin-2-yl]ethanol
SMILESCC(O)C1CCCCN1S(=O)(=O)c1ccc(Cl)c2ncccc12
InChIInChI=1S/C16H19ClN2O3S/c1-11(20)14-6-2-3-10-19(14)23(21,22)15-8-7-13(17)16-12(15)5-4-9-18-16/h4-5,7-9,11,14,20H,2-3,6,10H2,1H3
InChIKeyNGGOWOOSPGXDKI-UHFFFAOYSA-N
XLogP2.81
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.86
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(8-chloroquinolin-5-yl)sulfonylpiperidin-2-yl]ethanol?
The IUPAC name of 1-[1-(8-chloroquinolin-5-yl)sulfonylpiperidin-2-yl]ethanol (CID 75433590) is 1-[1-(8-chloroquinolin-5-yl)sulfonylpiperidin-2-yl]ethanol.
What is the SMILES notation for 1-[1-(8-chloroquinolin-5-yl)sulfonylpiperidin-2-yl]ethanol?
The canonical SMILES for 1-[1-(8-chloroquinolin-5-yl)sulfonylpiperidin-2-yl]ethanol is CC(O)C1CCCCN1S(=O)(=O)c1ccc(Cl)c2ncccc12.
What is the InChIKey of 1-[1-(8-chloroquinolin-5-yl)sulfonylpiperidin-2-yl]ethanol?
The InChIKey is NGGOWOOSPGXDKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O3S/c1-11(20)14-6-2-3-10-19(14)23(21,22)15-8-7-13(17)16-12(15)5-4-9-18-16/h4-5,7-9,11,14,20H,2-3,6,10H2,1H3.
What are the key properties of 1-[1-(8-chloroquinolin-5-yl)sulfonylpiperidin-2-yl]ethanol?
1-[1-(8-chloroquinolin-5-yl)sulfonylpiperidin-2-yl]ethanol has a molecular weight of 354.86 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(8-chloroquinolin-5-yl)sulfonylpiperidin-2-yl]ethanol is sourced from PubChem (CID 75433590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).