1-(3-chlorophenyl)-5-[(4-fluorophenyl)methylsulfanyl]tetrazole

C14H10ClFN4S — CID 572917

IUPAC1-(3-chlorophenyl)-5-[(4-fluorophenyl)methylsulfanyl]tetrazole
SMILESFc1ccc(CSc2nnnn2-c2cccc(Cl)c2)cc1
InChIInChI=1S/C14H10ClFN4S/c15-11-2-1-3-13(8-11)20-14(17-18-19-20)21-9-10-4-6-12(16)7-5-10/h1-8H,9H2
InChIKeyWZVVHOHYFYDHGE-UHFFFAOYSA-N
MW320.78 g/mol
LogP3.75
Rot. Bonds4

About 1-(3-chlorophenyl)-5-[(4-fluorophenyl)methylsulfanyl]tetrazole

1-(3-chlorophenyl)-5-[(4-fluorophenyl)methylsulfanyl]tetrazole (PubChem CID 572917) has the molecular formula C14H10ClFN4S and a molecular weight of 320.78 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-5-[(4-fluorophenyl)methylsulfanyl]tetrazole.

Molecular Properties

Compound Name1-(3-chlorophenyl)-5-[(4-fluorophenyl)methylsulfanyl]tetrazole
PubChem CID572917
Molecular FormulaC14H10ClFN4S
Molecular Weight320.78 g/mol
Exact Mass320.03
IUPAC Name1-(3-chlorophenyl)-5-[(4-fluorophenyl)methylsulfanyl]tetrazole
SMILESFc1ccc(CSc2nnnn2-c2cccc(Cl)c2)cc1
InChIInChI=1S/C14H10ClFN4S/c15-11-2-1-3-13(8-11)20-14(17-18-19-20)21-9-10-4-6-12(16)7-5-10/h1-8H,9H2
InChIKeyWZVVHOHYFYDHGE-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-chlorophenyl)-5-(prop-2-ynylthio)-1H-1,2,3,4-tetraazole
CID 2731962
1-(3-chloro-4-methylphenyl)-5-(methylthio)-1H-tetrazole
CID 2892293
4-[1-(3-Chloro-phenyl)-1H-tetrazol-5-ylsulfanyl]-butyronitrile
CID 592588
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
1-(2-Fluorophenyl)-5-{[(2-fluorophenyl)methyl]sulfanyl}-1H-1,2,3,4-tetrazole
CID 777329
5-((3-methylbenzyl)thio)-1-phenyl-1H-tetrazole
CID 877459
5-[(2-Chlorophenyl)methylsulfanyl]-1-(2,4-dimethylphenyl)tetrazole
CID 696926

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-5-[(4-fluorophenyl)methylsulfanyl]tetrazole?
The IUPAC name of 1-(3-chlorophenyl)-5-[(4-fluorophenyl)methylsulfanyl]tetrazole (CID 572917) is 1-(3-chlorophenyl)-5-[(4-fluorophenyl)methylsulfanyl]tetrazole.
What is the SMILES notation for 1-(3-chlorophenyl)-5-[(4-fluorophenyl)methylsulfanyl]tetrazole?
The canonical SMILES for 1-(3-chlorophenyl)-5-[(4-fluorophenyl)methylsulfanyl]tetrazole is Fc1ccc(CSc2nnnn2-c2cccc(Cl)c2)cc1.
What is the InChIKey of 1-(3-chlorophenyl)-5-[(4-fluorophenyl)methylsulfanyl]tetrazole?
The InChIKey is WZVVHOHYFYDHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN4S/c15-11-2-1-3-13(8-11)20-14(17-18-19-20)21-9-10-4-6-12(16)7-5-10/h1-8H,9H2.
What are the key properties of 1-(3-chlorophenyl)-5-[(4-fluorophenyl)methylsulfanyl]tetrazole?
1-(3-chlorophenyl)-5-[(4-fluorophenyl)methylsulfanyl]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 1-(3-chlorophenyl)-5-[(4-fluorophenyl)methylsulfanyl]tetrazole is sourced from PubChem (CID 572917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).