5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(2,4-dimethylphenyl)tetrazole

C16H14ClFN4S — CID 2795813

IUPAC5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(2,4-dimethylphenyl)tetrazole
SMILESCc1ccc(-n2nnnc2SCc2c(F)cccc2Cl)c(C)c1
InChIInChI=1S/C16H14ClFN4S/c1-10-6-7-15(11(2)8-10)22-16(19-20-21-22)23-9-12-13(17)4-3-5-14(12)18/h3-8H,9H2,1-2H3
InChIKeyDMSNQYWGTPLRHK-UHFFFAOYSA-N
MW348.83 g/mol
LogP4.36
Rot. Bonds4

About 5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(2,4-dimethylphenyl)tetrazole

5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(2,4-dimethylphenyl)tetrazole (PubChem CID 2795813) has the molecular formula C16H14ClFN4S and a molecular weight of 348.83 g/mol. Its IUPAC name is 5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(2,4-dimethylphenyl)tetrazole.

Molecular Properties

Compound Name5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(2,4-dimethylphenyl)tetrazole
PubChem CID2795813
Molecular FormulaC16H14ClFN4S
Molecular Weight348.83 g/mol
Exact Mass348.06
IUPAC Name5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(2,4-dimethylphenyl)tetrazole
SMILESCc1ccc(-n2nnnc2SCc2c(F)cccc2Cl)c(C)c1
InChIInChI=1S/C16H14ClFN4S/c1-10-6-7-15(11(2)8-10)22-16(19-20-21-22)23-9-12-13(17)4-3-5-14(12)18/h3-8H,9H2,1-2H3
InChIKeyDMSNQYWGTPLRHK-UHFFFAOYSA-N
XLogP4.36
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(2,4-dimethylphenyl)tetrazole?
The IUPAC name of 5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(2,4-dimethylphenyl)tetrazole (CID 2795813) is 5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(2,4-dimethylphenyl)tetrazole.
What is the SMILES notation for 5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(2,4-dimethylphenyl)tetrazole?
The canonical SMILES for 5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(2,4-dimethylphenyl)tetrazole is Cc1ccc(-n2nnnc2SCc2c(F)cccc2Cl)c(C)c1.
What is the InChIKey of 5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(2,4-dimethylphenyl)tetrazole?
The InChIKey is DMSNQYWGTPLRHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN4S/c1-10-6-7-15(11(2)8-10)22-16(19-20-21-22)23-9-12-13(17)4-3-5-14(12)18/h3-8H,9H2,1-2H3.
What are the key properties of 5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(2,4-dimethylphenyl)tetrazole?
5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(2,4-dimethylphenyl)tetrazole has a molecular weight of 348.83 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(2,4-dimethylphenyl)tetrazole is sourced from PubChem (CID 2795813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).