5-[(4-bromo-2-fluorophenyl)methylsulfanyl]-1-(2-methylphenyl)tetrazole

C15H12BrFN4S — CID 7646433

IUPAC5-[(4-bromo-2-fluorophenyl)methylsulfanyl]-1-(2-methylphenyl)tetrazole
SMILESCc1ccccc1-n1nnnc1SCc1ccc(Br)cc1F
InChIInChI=1S/C15H12BrFN4S/c1-10-4-2-3-5-14(10)21-15(18-19-20-21)22-9-11-6-7-12(16)8-13(11)17/h2-8H,9H2,1H3
InChIKeyOMQYPPAFVKGJEU-UHFFFAOYSA-N
MW379.26 g/mol
LogP4.16
Rot. Bonds4

About 5-[(4-bromo-2-fluorophenyl)methylsulfanyl]-1-(2-methylphenyl)tetrazole

5-[(4-bromo-2-fluorophenyl)methylsulfanyl]-1-(2-methylphenyl)tetrazole (PubChem CID 7646433) has the molecular formula C15H12BrFN4S and a molecular weight of 379.26 g/mol. Its IUPAC name is 5-[(4-bromo-2-fluorophenyl)methylsulfanyl]-1-(2-methylphenyl)tetrazole.

Molecular Properties

Compound Name5-[(4-bromo-2-fluorophenyl)methylsulfanyl]-1-(2-methylphenyl)tetrazole
PubChem CID7646433
Molecular FormulaC15H12BrFN4S
Molecular Weight379.26 g/mol
Exact Mass378.00
IUPAC Name5-[(4-bromo-2-fluorophenyl)methylsulfanyl]-1-(2-methylphenyl)tetrazole
SMILESCc1ccccc1-n1nnnc1SCc1ccc(Br)cc1F
InChIInChI=1S/C15H12BrFN4S/c1-10-4-2-3-5-14(10)21-15(18-19-20-21)22-9-11-6-7-12(16)8-13(11)17/h2-8H,9H2,1H3
InChIKeyOMQYPPAFVKGJEU-UHFFFAOYSA-N
XLogP4.16
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.26
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2,4-dichlorophenyl)methylsulfanyl]-1-(2-methylphenyl)tetrazole
CID 2390682
5-[(4-bromo-2-fluorophenyl)methylsulfanyl]-1-(3-fluorophenyl)tetrazole
CID 7562922
5-[(2,5-dimethylphenyl)methylsulfanyl]-1-(2-methylphenyl)tetrazole
CID 7647121
1-(2-methylphenyl)-5-[(2,3,4,5,6-pentafluorophenyl)methylsulfanyl]tetrazole
CID 16508779
4-[5-[(4-bromo-2-fluorophenyl)methylsulfanyl]tetrazol-1-yl]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 112803072
5-[(2-methoxyphenyl)methylsulfanyl]-1-(2-methylphenyl)tetrazole
CID 7647181
5-[(2-methoxy-5-methylphenyl)methylsulfanyl]-1-(2-methylphenyl)tetrazole
CID 8944164
5-[(4-chloro-2-fluorophenyl)methylsulfanyl]-1-naphthalen-1-yltetrazole
CID 134065468
1-(2,5-dimethylphenyl)-5-[(2-methylphenyl)methylsulfanyl]tetrazole
CID 7878057
1-(4-bromophenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylethanone
CID 4043984
5-[(4-bromo-2-fluorophenyl)methylsulfanyl]-1-cyclopropyltetrazole
CID 47124353
5-[(3,4-dichlorophenyl)methylsulfanyl]-1-(2-methylphenyl)tetrazole
CID 16508726

Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromo-2-fluorophenyl)methylsulfanyl]-1-(2-methylphenyl)tetrazole?
The IUPAC name of 5-[(4-bromo-2-fluorophenyl)methylsulfanyl]-1-(2-methylphenyl)tetrazole (CID 7646433) is 5-[(4-bromo-2-fluorophenyl)methylsulfanyl]-1-(2-methylphenyl)tetrazole.
What is the SMILES notation for 5-[(4-bromo-2-fluorophenyl)methylsulfanyl]-1-(2-methylphenyl)tetrazole?
The canonical SMILES for 5-[(4-bromo-2-fluorophenyl)methylsulfanyl]-1-(2-methylphenyl)tetrazole is Cc1ccccc1-n1nnnc1SCc1ccc(Br)cc1F.
What is the InChIKey of 5-[(4-bromo-2-fluorophenyl)methylsulfanyl]-1-(2-methylphenyl)tetrazole?
The InChIKey is OMQYPPAFVKGJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFN4S/c1-10-4-2-3-5-14(10)21-15(18-19-20-21)22-9-11-6-7-12(16)8-13(11)17/h2-8H,9H2,1H3.
What are the key properties of 5-[(4-bromo-2-fluorophenyl)methylsulfanyl]-1-(2-methylphenyl)tetrazole?
5-[(4-bromo-2-fluorophenyl)methylsulfanyl]-1-(2-methylphenyl)tetrazole has a molecular weight of 379.26 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromo-2-fluorophenyl)methylsulfanyl]-1-(2-methylphenyl)tetrazole is sourced from PubChem (CID 7646433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).