1-(4-fluorophenyl)sulfinyl-3-pyridin-3-ylnaphthalen-2-ol

C21H14FNO2S — CID 118720470

IUPAC1-(4-fluorophenyl)sulfinyl-3-pyridin-3-ylnaphthalen-2-ol
SMILESO=S(c1ccc(F)cc1)c1c(O)c(-c2cccnc2)cc2ccccc12
InChIInChI=1S/C21H14FNO2S/c22-16-7-9-17(10-8-16)26(25)21-18-6-2-1-4-14(18)12-19(20(21)24)15-5-3-11-23-13-15/h1-13,24H
InChIKeyJOHSRMVJHDHTDQ-UHFFFAOYSA-N
MW363.41 g/mol
LogP4.91
Rot. Bonds3

About 1-(4-fluorophenyl)sulfinyl-3-pyridin-3-ylnaphthalen-2-ol

1-(4-fluorophenyl)sulfinyl-3-pyridin-3-ylnaphthalen-2-ol (PubChem CID 118720470) has the molecular formula C21H14FNO2S and a molecular weight of 363.41 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfinyl-3-pyridin-3-ylnaphthalen-2-ol.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfinyl-3-pyridin-3-ylnaphthalen-2-ol
PubChem CID118720470
Molecular FormulaC21H14FNO2S
Molecular Weight363.41 g/mol
Exact Mass363.07
IUPAC Name1-(4-fluorophenyl)sulfinyl-3-pyridin-3-ylnaphthalen-2-ol
SMILESO=S(c1ccc(F)cc1)c1c(O)c(-c2cccnc2)cc2ccccc12
InChIInChI=1S/C21H14FNO2S/c22-16-7-9-17(10-8-16)26(25)21-18-6-2-1-4-14(18)12-19(20(21)24)15-5-3-11-23-13-15/h1-13,24H
InChIKeyJOHSRMVJHDHTDQ-UHFFFAOYSA-N
XLogP4.91
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-fluorophenyl)sulfinyl-3-pyridin-3-ylnaphthalen-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfinyl-3-pyridin-3-ylnaphthalen-2-ol?
The IUPAC name of 1-(4-fluorophenyl)sulfinyl-3-pyridin-3-ylnaphthalen-2-ol (CID 118720470) is 1-(4-fluorophenyl)sulfinyl-3-pyridin-3-ylnaphthalen-2-ol.
What is the SMILES notation for 1-(4-fluorophenyl)sulfinyl-3-pyridin-3-ylnaphthalen-2-ol?
The canonical SMILES for 1-(4-fluorophenyl)sulfinyl-3-pyridin-3-ylnaphthalen-2-ol is O=S(c1ccc(F)cc1)c1c(O)c(-c2cccnc2)cc2ccccc12.
What is the InChIKey of 1-(4-fluorophenyl)sulfinyl-3-pyridin-3-ylnaphthalen-2-ol?
The InChIKey is JOHSRMVJHDHTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14FNO2S/c22-16-7-9-17(10-8-16)26(25)21-18-6-2-1-4-14(18)12-19(20(21)24)15-5-3-11-23-13-15/h1-13,24H.
What are the key properties of 1-(4-fluorophenyl)sulfinyl-3-pyridin-3-ylnaphthalen-2-ol?
1-(4-fluorophenyl)sulfinyl-3-pyridin-3-ylnaphthalen-2-ol has a molecular weight of 363.41 g/mol, XLogP of 4.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfinyl-3-pyridin-3-ylnaphthalen-2-ol is sourced from PubChem (CID 118720470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).