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

C21H14FNO2S — CID 118720471

IUPAC1-(3-fluorophenyl)sulfinyl-3-pyridin-3-ylnaphthalen-2-ol
SMILESO=S(c1cccc(F)c1)c1c(O)c(-c2cccnc2)cc2ccccc12
InChIInChI=1S/C21H14FNO2S/c22-16-7-3-8-17(12-16)26(25)21-18-9-2-1-5-14(18)11-19(20(21)24)15-6-4-10-23-13-15/h1-13,24H
InChIKeyTYZCWWNXNCXHAV-UHFFFAOYSA-N
MW363.41 g/mol
LogP4.91
Rot. Bonds3

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

1-(3-fluorophenyl)sulfinyl-3-pyridin-3-ylnaphthalen-2-ol (PubChem CID 118720471) has the molecular formula C21H14FNO2S and a molecular weight of 363.41 g/mol. Its IUPAC name is 1-(3-fluorophenyl)sulfinyl-3-pyridin-3-ylnaphthalen-2-ol.

Molecular Properties

Compound Name1-(3-fluorophenyl)sulfinyl-3-pyridin-3-ylnaphthalen-2-ol
PubChem CID118720471
Molecular FormulaC21H14FNO2S
Molecular Weight363.41 g/mol
Exact Mass363.07
IUPAC Name1-(3-fluorophenyl)sulfinyl-3-pyridin-3-ylnaphthalen-2-ol
SMILESO=S(c1cccc(F)c1)c1c(O)c(-c2cccnc2)cc2ccccc12
InChIInChI=1S/C21H14FNO2S/c22-16-7-3-8-17(12-16)26(25)21-18-9-2-1-5-14(18)11-19(20(21)24)15-6-4-10-23-13-15/h1-13,24H
InChIKeyTYZCWWNXNCXHAV-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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)sulfinyl-3-pyridin-3-ylnaphthalen-2-ol?
The IUPAC name of 1-(3-fluorophenyl)sulfinyl-3-pyridin-3-ylnaphthalen-2-ol (CID 118720471) is 1-(3-fluorophenyl)sulfinyl-3-pyridin-3-ylnaphthalen-2-ol.
What is the SMILES notation for 1-(3-fluorophenyl)sulfinyl-3-pyridin-3-ylnaphthalen-2-ol?
The canonical SMILES for 1-(3-fluorophenyl)sulfinyl-3-pyridin-3-ylnaphthalen-2-ol is O=S(c1cccc(F)c1)c1c(O)c(-c2cccnc2)cc2ccccc12.
What is the InChIKey of 1-(3-fluorophenyl)sulfinyl-3-pyridin-3-ylnaphthalen-2-ol?
The InChIKey is TYZCWWNXNCXHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14FNO2S/c22-16-7-3-8-17(12-16)26(25)21-18-9-2-1-5-14(18)11-19(20(21)24)15-6-4-10-23-13-15/h1-13,24H.
What are the key properties of 1-(3-fluorophenyl)sulfinyl-3-pyridin-3-ylnaphthalen-2-ol?
1-(3-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-(3-fluorophenyl)sulfinyl-3-pyridin-3-ylnaphthalen-2-ol is sourced from PubChem (CID 118720471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).