1-(3-fluorophenyl)-5-[(2-phenoxyphenyl)methylsulfanyl]tetrazole

C20H15FN4OS — CID 18231138

IUPAC1-(3-fluorophenyl)-5-[(2-phenoxyphenyl)methylsulfanyl]tetrazole
SMILESFc1cccc(-n2nnnc2SCc2ccccc2Oc2ccccc2)c1
InChIInChI=1S/C20H15FN4OS/c21-16-8-6-9-17(13-16)25-20(22-23-24-25)27-14-15-7-4-5-12-19(15)26-18-10-2-1-3-11-18/h1-13H,14H2
InChIKeyFEWIJEMNFBKAEM-UHFFFAOYSA-N
MW378.43 g/mol
LogP4.89
Rot. Bonds6

About 1-(3-fluorophenyl)-5-[(2-phenoxyphenyl)methylsulfanyl]tetrazole

1-(3-fluorophenyl)-5-[(2-phenoxyphenyl)methylsulfanyl]tetrazole (PubChem CID 18231138) has the molecular formula C20H15FN4OS and a molecular weight of 378.43 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-5-[(2-phenoxyphenyl)methylsulfanyl]tetrazole.

Molecular Properties

Compound Name1-(3-fluorophenyl)-5-[(2-phenoxyphenyl)methylsulfanyl]tetrazole
PubChem CID18231138
Molecular FormulaC20H15FN4OS
Molecular Weight378.43 g/mol
Exact Mass378.10
IUPAC Name1-(3-fluorophenyl)-5-[(2-phenoxyphenyl)methylsulfanyl]tetrazole
SMILESFc1cccc(-n2nnnc2SCc2ccccc2Oc2ccccc2)c1
InChIInChI=1S/C20H15FN4OS/c21-16-8-6-9-17(13-16)25-20(22-23-24-25)27-14-15-7-4-5-12-19(15)26-18-10-2-1-3-11-18/h1-13H,14H2
InChIKeyFEWIJEMNFBKAEM-UHFFFAOYSA-N
XLogP4.89
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-5-[(2-phenoxyphenyl)methylsulfanyl]tetrazole?
The IUPAC name of 1-(3-fluorophenyl)-5-[(2-phenoxyphenyl)methylsulfanyl]tetrazole (CID 18231138) is 1-(3-fluorophenyl)-5-[(2-phenoxyphenyl)methylsulfanyl]tetrazole.
What is the SMILES notation for 1-(3-fluorophenyl)-5-[(2-phenoxyphenyl)methylsulfanyl]tetrazole?
The canonical SMILES for 1-(3-fluorophenyl)-5-[(2-phenoxyphenyl)methylsulfanyl]tetrazole is Fc1cccc(-n2nnnc2SCc2ccccc2Oc2ccccc2)c1.
What is the InChIKey of 1-(3-fluorophenyl)-5-[(2-phenoxyphenyl)methylsulfanyl]tetrazole?
The InChIKey is FEWIJEMNFBKAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4OS/c21-16-8-6-9-17(13-16)25-20(22-23-24-25)27-14-15-7-4-5-12-19(15)26-18-10-2-1-3-11-18/h1-13H,14H2.
What are the key properties of 1-(3-fluorophenyl)-5-[(2-phenoxyphenyl)methylsulfanyl]tetrazole?
1-(3-fluorophenyl)-5-[(2-phenoxyphenyl)methylsulfanyl]tetrazole has a molecular weight of 378.43 g/mol, XLogP of 4.89, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-5-[(2-phenoxyphenyl)methylsulfanyl]tetrazole is sourced from PubChem (CID 18231138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).