7-chloro-5-cyclopentylsulfonylquinolin-8-ol

C14H14ClNO3S — CID 122440029

IUPAC7-chloro-5-cyclopentylsulfonylquinolin-8-ol
SMILESO=S(=O)(c1cc(Cl)c(O)c2ncccc12)C1CCCC1
InChIInChI=1S/C14H14ClNO3S/c15-11-8-12(20(18,19)9-4-1-2-5-9)10-6-3-7-16-13(10)14(11)17/h3,6-9,17H,1-2,4-5H2
InChIKeyKUYRRWBHFLIXHG-UHFFFAOYSA-N
MW311.79 g/mol
LogP3.31
Rot. Bonds2

About 7-chloro-5-cyclopentylsulfonylquinolin-8-ol

7-chloro-5-cyclopentylsulfonylquinolin-8-ol (PubChem CID 122440029) has the molecular formula C14H14ClNO3S and a molecular weight of 311.79 g/mol. Its IUPAC name is 7-chloro-5-cyclopentylsulfonylquinolin-8-ol.

Molecular Properties

Compound Name7-chloro-5-cyclopentylsulfonylquinolin-8-ol
PubChem CID122440029
Molecular FormulaC14H14ClNO3S
Molecular Weight311.79 g/mol
Exact Mass311.04
IUPAC Name7-chloro-5-cyclopentylsulfonylquinolin-8-ol
SMILESO=S(=O)(c1cc(Cl)c(O)c2ncccc12)C1CCCC1
InChIInChI=1S/C14H14ClNO3S/c15-11-8-12(20(18,19)9-4-1-2-5-9)10-6-3-7-16-13(10)14(11)17/h3,6-9,17H,1-2,4-5H2
InChIKeyKUYRRWBHFLIXHG-UHFFFAOYSA-N
XLogP3.31
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.79
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-cyclopentylsulfonylquinolin-8-ol?
The IUPAC name of 7-chloro-5-cyclopentylsulfonylquinolin-8-ol (CID 122440029) is 7-chloro-5-cyclopentylsulfonylquinolin-8-ol.
What is the SMILES notation for 7-chloro-5-cyclopentylsulfonylquinolin-8-ol?
The canonical SMILES for 7-chloro-5-cyclopentylsulfonylquinolin-8-ol is O=S(=O)(c1cc(Cl)c(O)c2ncccc12)C1CCCC1.
What is the InChIKey of 7-chloro-5-cyclopentylsulfonylquinolin-8-ol?
The InChIKey is KUYRRWBHFLIXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO3S/c15-11-8-12(20(18,19)9-4-1-2-5-9)10-6-3-7-16-13(10)14(11)17/h3,6-9,17H,1-2,4-5H2.
What are the key properties of 7-chloro-5-cyclopentylsulfonylquinolin-8-ol?
7-chloro-5-cyclopentylsulfonylquinolin-8-ol has a molecular weight of 311.79 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-cyclopentylsulfonylquinolin-8-ol is sourced from PubChem (CID 122440029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).