5-[(2-chloro-4-fluorophenyl)methylsulfanyl]-1-(2-methoxyphenyl)tetrazole

C15H12ClFN4OS — CID 16535979

IUPAC5-[(2-chloro-4-fluorophenyl)methylsulfanyl]-1-(2-methoxyphenyl)tetrazole
SMILESCOc1ccccc1-n1nnnc1SCc1ccc(F)cc1Cl
InChIInChI=1S/C15H12ClFN4OS/c1-22-14-5-3-2-4-13(14)21-15(18-19-20-21)23-9-10-6-7-11(17)8-12(10)16/h2-8H,9H2,1H3
InChIKeyQVTGRDXUVORPKY-UHFFFAOYSA-N
MW350.81 g/mol
LogP3.76
Rot. Bonds5

About 5-[(2-chloro-4-fluorophenyl)methylsulfanyl]-1-(2-methoxyphenyl)tetrazole

5-[(2-chloro-4-fluorophenyl)methylsulfanyl]-1-(2-methoxyphenyl)tetrazole (PubChem CID 16535979) has the molecular formula C15H12ClFN4OS and a molecular weight of 350.81 g/mol. Its IUPAC name is 5-[(2-chloro-4-fluorophenyl)methylsulfanyl]-1-(2-methoxyphenyl)tetrazole.

Molecular Properties

Compound Name5-[(2-chloro-4-fluorophenyl)methylsulfanyl]-1-(2-methoxyphenyl)tetrazole
PubChem CID16535979
Molecular FormulaC15H12ClFN4OS
Molecular Weight350.81 g/mol
Exact Mass350.04
IUPAC Name5-[(2-chloro-4-fluorophenyl)methylsulfanyl]-1-(2-methoxyphenyl)tetrazole
SMILESCOc1ccccc1-n1nnnc1SCc1ccc(F)cc1Cl
InChIInChI=1S/C15H12ClFN4OS/c1-22-14-5-3-2-4-13(14)21-15(18-19-20-21)23-9-10-6-7-11(17)8-12(10)16/h2-8H,9H2,1H3
InChIKeyQVTGRDXUVORPKY-UHFFFAOYSA-N
XLogP3.76
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.81
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-4-fluorophenyl)methylsulfanyl]-1-(2-methoxyphenyl)tetrazole?
The IUPAC name of 5-[(2-chloro-4-fluorophenyl)methylsulfanyl]-1-(2-methoxyphenyl)tetrazole (CID 16535979) is 5-[(2-chloro-4-fluorophenyl)methylsulfanyl]-1-(2-methoxyphenyl)tetrazole.
What is the SMILES notation for 5-[(2-chloro-4-fluorophenyl)methylsulfanyl]-1-(2-methoxyphenyl)tetrazole?
The canonical SMILES for 5-[(2-chloro-4-fluorophenyl)methylsulfanyl]-1-(2-methoxyphenyl)tetrazole is COc1ccccc1-n1nnnc1SCc1ccc(F)cc1Cl.
What is the InChIKey of 5-[(2-chloro-4-fluorophenyl)methylsulfanyl]-1-(2-methoxyphenyl)tetrazole?
The InChIKey is QVTGRDXUVORPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN4OS/c1-22-14-5-3-2-4-13(14)21-15(18-19-20-21)23-9-10-6-7-11(17)8-12(10)16/h2-8H,9H2,1H3.
What are the key properties of 5-[(2-chloro-4-fluorophenyl)methylsulfanyl]-1-(2-methoxyphenyl)tetrazole?
5-[(2-chloro-4-fluorophenyl)methylsulfanyl]-1-(2-methoxyphenyl)tetrazole has a molecular weight of 350.81 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-4-fluorophenyl)methylsulfanyl]-1-(2-methoxyphenyl)tetrazole is sourced from PubChem (CID 16535979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).