2-[(4-fluorophenyl)sulfonylmethyl]quinolin-8-ol

C16H12FNO3S — CID 134716316

IUPAC2-[(4-fluorophenyl)sulfonylmethyl]quinolin-8-ol
SMILESO=S(=O)(Cc1ccc2cccc(O)c2n1)c1ccc(F)cc1
InChIInChI=1S/C16H12FNO3S/c17-12-5-8-14(9-6-12)22(20,21)10-13-7-4-11-2-1-3-15(19)16(11)18-13/h1-9,19H,10H2
InChIKeyHUPGOAVXNOCMPA-UHFFFAOYSA-N
MW317.34 g/mol
LogP3.05
Rot. Bonds3

About 2-[(4-fluorophenyl)sulfonylmethyl]quinolin-8-ol

2-[(4-fluorophenyl)sulfonylmethyl]quinolin-8-ol (PubChem CID 134716316) has the molecular formula C16H12FNO3S and a molecular weight of 317.34 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)sulfonylmethyl]quinolin-8-ol.

Molecular Properties

Compound Name2-[(4-fluorophenyl)sulfonylmethyl]quinolin-8-ol
PubChem CID134716316
Molecular FormulaC16H12FNO3S
Molecular Weight317.34 g/mol
Exact Mass317.05
IUPAC Name2-[(4-fluorophenyl)sulfonylmethyl]quinolin-8-ol
SMILESO=S(=O)(Cc1ccc2cccc(O)c2n1)c1ccc(F)cc1
InChIInChI=1S/C16H12FNO3S/c17-12-5-8-14(9-6-12)22(20,21)10-13-7-4-11-2-1-3-15(19)16(11)18-13/h1-9,19H,10H2
InChIKeyHUPGOAVXNOCMPA-UHFFFAOYSA-N
XLogP3.05
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)sulfonylmethyl]quinolin-8-ol?
The IUPAC name of 2-[(4-fluorophenyl)sulfonylmethyl]quinolin-8-ol (CID 134716316) is 2-[(4-fluorophenyl)sulfonylmethyl]quinolin-8-ol.
What is the SMILES notation for 2-[(4-fluorophenyl)sulfonylmethyl]quinolin-8-ol?
The canonical SMILES for 2-[(4-fluorophenyl)sulfonylmethyl]quinolin-8-ol is O=S(=O)(Cc1ccc2cccc(O)c2n1)c1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)sulfonylmethyl]quinolin-8-ol?
The InChIKey is HUPGOAVXNOCMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO3S/c17-12-5-8-14(9-6-12)22(20,21)10-13-7-4-11-2-1-3-15(19)16(11)18-13/h1-9,19H,10H2.
What are the key properties of 2-[(4-fluorophenyl)sulfonylmethyl]quinolin-8-ol?
2-[(4-fluorophenyl)sulfonylmethyl]quinolin-8-ol has a molecular weight of 317.34 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)sulfonylmethyl]quinolin-8-ol is sourced from PubChem (CID 134716316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).