5-[(2-chlorophenyl)methylsulfanyl]-1-(2-fluorophenyl)tetrazole

C14H10ClFN4S — CID 701401

IUPAC5-[(2-chlorophenyl)methylsulfanyl]-1-(2-fluorophenyl)tetrazole
SMILESFc1ccccc1-n1nnnc1SCc1ccccc1Cl
InChIInChI=1S/C14H10ClFN4S/c15-11-6-2-1-5-10(11)9-21-14-17-18-19-20(14)13-8-4-3-7-12(13)16/h1-8H,9H2
InChIKeyNNSJRYLJLLGEOL-UHFFFAOYSA-N
MW320.78 g/mol
LogP3.75
Rot. Bonds4

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

5-[(2-chlorophenyl)methylsulfanyl]-1-(2-fluorophenyl)tetrazole (PubChem CID 701401) has the molecular formula C14H10ClFN4S and a molecular weight of 320.78 g/mol. Its IUPAC name is 5-[(2-chlorophenyl)methylsulfanyl]-1-(2-fluorophenyl)tetrazole.

Molecular Properties

Compound Name5-[(2-chlorophenyl)methylsulfanyl]-1-(2-fluorophenyl)tetrazole
PubChem CID701401
Molecular FormulaC14H10ClFN4S
Molecular Weight320.78 g/mol
Exact Mass320.03
IUPAC Name5-[(2-chlorophenyl)methylsulfanyl]-1-(2-fluorophenyl)tetrazole
SMILESFc1ccccc1-n1nnnc1SCc1ccccc1Cl
InChIInChI=1S/C14H10ClFN4S/c15-11-6-2-1-5-10(11)9-21-14-17-18-19-20(14)13-8-4-3-7-12(13)16/h1-8H,9H2
InChIKeyNNSJRYLJLLGEOL-UHFFFAOYSA-N
XLogP3.75
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(benzylsulfanyl)-1-phenyl-1H-1,2,3,4-tetrazole
CID 684006
1-(3-chloro-4-methylphenyl)-5-(methylthio)-1H-tetrazole
CID 2892293
3-[(4-chlorobenzyl)sulfanyl]-1-phenyl-1H-1,2,4-triazole
CID 1778827
3-[(2-chlorobenzyl)sulfanyl]-1-phenyl-1H-1,2,4-triazole
CID 1778828
3-chlorobenzyl1-phenyl-1H-1,2,4-triazol-3-ylsulfide
CID 1778831
N-(2-chlorobenzyl)-3-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]propan-1-amine
CID 8035321
5-[(4-Chlorophenyl)methylsulfanyl]-1-(3,5-dinitrophenyl)tetrazole
CID 137661777
5-(2-Chlorophenyl)-1-(4-fluorophenyl)-1,2,3,4-tetraazole
CID 847265
5-[(2-fluorobenzyl)thio]-1-(2-fluorophenyl)-1H-tetrazole
CID 777329
5-[(3-Methylphenyl)methylsulfanyl]-1-phenyltetrazole
CID 877459
5-[(2-Chlorophenyl)methylsulfanyl]-1-(2,4-dimethylphenyl)tetrazole
CID 696926
5-[(2-Chlorophenyl)methylsulfonyl]-1-(2,6-dimethylphenyl)tetrazole
CID 2210679

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorophenyl)methylsulfanyl]-1-(2-fluorophenyl)tetrazole?
The IUPAC name of 5-[(2-chlorophenyl)methylsulfanyl]-1-(2-fluorophenyl)tetrazole (CID 701401) is 5-[(2-chlorophenyl)methylsulfanyl]-1-(2-fluorophenyl)tetrazole.
What is the SMILES notation for 5-[(2-chlorophenyl)methylsulfanyl]-1-(2-fluorophenyl)tetrazole?
The canonical SMILES for 5-[(2-chlorophenyl)methylsulfanyl]-1-(2-fluorophenyl)tetrazole is Fc1ccccc1-n1nnnc1SCc1ccccc1Cl.
What is the InChIKey of 5-[(2-chlorophenyl)methylsulfanyl]-1-(2-fluorophenyl)tetrazole?
The InChIKey is NNSJRYLJLLGEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN4S/c15-11-6-2-1-5-10(11)9-21-14-17-18-19-20(14)13-8-4-3-7-12(13)16/h1-8H,9H2.
What are the key properties of 5-[(2-chlorophenyl)methylsulfanyl]-1-(2-fluorophenyl)tetrazole?
5-[(2-chlorophenyl)methylsulfanyl]-1-(2-fluorophenyl)tetrazole has a molecular weight of 320.78 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorophenyl)methylsulfanyl]-1-(2-fluorophenyl)tetrazole is sourced from PubChem (CID 701401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).