1-phenylsulfanyl-3-pyridin-3-ylnaphthalen-2-ol

C21H15NOS — CID 102502134

IUPAC1-phenylsulfanyl-3-pyridin-3-ylnaphthalen-2-ol
SMILESOc1c(-c2cccnc2)cc2ccccc2c1Sc1ccccc1
InChIInChI=1S/C21H15NOS/c23-20-19(16-8-6-12-22-14-16)13-15-7-4-5-11-18(15)21(20)24-17-9-2-1-3-10-17/h1-14,23H
InChIKeyNEHZHYVRZSEEBB-UHFFFAOYSA-N
MW329.42 g/mol
LogP5.76
Rot. Bonds3

About 1-phenylsulfanyl-3-pyridin-3-ylnaphthalen-2-ol

1-phenylsulfanyl-3-pyridin-3-ylnaphthalen-2-ol (PubChem CID 102502134) has the molecular formula C21H15NOS and a molecular weight of 329.42 g/mol. Its IUPAC name is 1-phenylsulfanyl-3-pyridin-3-ylnaphthalen-2-ol.

Molecular Properties

Compound Name1-phenylsulfanyl-3-pyridin-3-ylnaphthalen-2-ol
PubChem CID102502134
Molecular FormulaC21H15NOS
Molecular Weight329.42 g/mol
Exact Mass329.09
IUPAC Name1-phenylsulfanyl-3-pyridin-3-ylnaphthalen-2-ol
SMILESOc1c(-c2cccnc2)cc2ccccc2c1Sc1ccccc1
InChIInChI=1S/C21H15NOS/c23-20-19(16-8-6-12-22-14-16)13-15-7-4-5-11-18(15)21(20)24-17-9-2-1-3-10-17/h1-14,23H
InChIKeyNEHZHYVRZSEEBB-UHFFFAOYSA-N
XLogP5.76
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.42
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-phenylsulfanyl-3-pyridin-3-ylnaphthalen-2-ol?
The IUPAC name of 1-phenylsulfanyl-3-pyridin-3-ylnaphthalen-2-ol (CID 102502134) is 1-phenylsulfanyl-3-pyridin-3-ylnaphthalen-2-ol.
What is the SMILES notation for 1-phenylsulfanyl-3-pyridin-3-ylnaphthalen-2-ol?
The canonical SMILES for 1-phenylsulfanyl-3-pyridin-3-ylnaphthalen-2-ol is Oc1c(-c2cccnc2)cc2ccccc2c1Sc1ccccc1.
What is the InChIKey of 1-phenylsulfanyl-3-pyridin-3-ylnaphthalen-2-ol?
The InChIKey is NEHZHYVRZSEEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NOS/c23-20-19(16-8-6-12-22-14-16)13-15-7-4-5-11-18(15)21(20)24-17-9-2-1-3-10-17/h1-14,23H.
What are the key properties of 1-phenylsulfanyl-3-pyridin-3-ylnaphthalen-2-ol?
1-phenylsulfanyl-3-pyridin-3-ylnaphthalen-2-ol has a molecular weight of 329.42 g/mol, XLogP of 5.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylsulfanyl-3-pyridin-3-ylnaphthalen-2-ol is sourced from PubChem (CID 102502134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).