5-cyclopentylsulfonyl-7-fluoroquinolin-8-ol

C14H14FNO3S — CID 122439995

IUPAC5-cyclopentylsulfonyl-7-fluoroquinolin-8-ol
SMILESO=S(=O)(c1cc(F)c(O)c2ncccc12)C1CCCC1
InChIInChI=1S/C14H14FNO3S/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
InChIKeyIVFUTUMPNJJQAQ-UHFFFAOYSA-N
MW295.33 g/mol
LogP2.80
Rot. Bonds2

About 5-cyclopentylsulfonyl-7-fluoroquinolin-8-ol

5-cyclopentylsulfonyl-7-fluoroquinolin-8-ol (PubChem CID 122439995) has the molecular formula C14H14FNO3S and a molecular weight of 295.33 g/mol. Its IUPAC name is 5-cyclopentylsulfonyl-7-fluoroquinolin-8-ol.

Molecular Properties

Compound Name5-cyclopentylsulfonyl-7-fluoroquinolin-8-ol
PubChem CID122439995
Molecular FormulaC14H14FNO3S
Molecular Weight295.33 g/mol
Exact Mass295.07
IUPAC Name5-cyclopentylsulfonyl-7-fluoroquinolin-8-ol
SMILESO=S(=O)(c1cc(F)c(O)c2ncccc12)C1CCCC1
InChIInChI=1S/C14H14FNO3S/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
InChIKeyIVFUTUMPNJJQAQ-UHFFFAOYSA-N
XLogP2.80
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopentylsulfonyl-7-fluoroquinolin-8-ol?
The IUPAC name of 5-cyclopentylsulfonyl-7-fluoroquinolin-8-ol (CID 122439995) is 5-cyclopentylsulfonyl-7-fluoroquinolin-8-ol.
What is the SMILES notation for 5-cyclopentylsulfonyl-7-fluoroquinolin-8-ol?
The canonical SMILES for 5-cyclopentylsulfonyl-7-fluoroquinolin-8-ol is O=S(=O)(c1cc(F)c(O)c2ncccc12)C1CCCC1.
What is the InChIKey of 5-cyclopentylsulfonyl-7-fluoroquinolin-8-ol?
The InChIKey is IVFUTUMPNJJQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO3S/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 5-cyclopentylsulfonyl-7-fluoroquinolin-8-ol?
5-cyclopentylsulfonyl-7-fluoroquinolin-8-ol has a molecular weight of 295.33 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentylsulfonyl-7-fluoroquinolin-8-ol is sourced from PubChem (CID 122439995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).