5-[(4-bromo-2-fluorophenyl)methylsulfanyl]-1-(3-fluorophenyl)tetrazole

C14H9BrF2N4S — CID 7562922

IUPAC5-[(4-bromo-2-fluorophenyl)methylsulfanyl]-1-(3-fluorophenyl)tetrazole
SMILESFc1cccc(-n2nnnc2SCc2ccc(Br)cc2F)c1
InChIInChI=1S/C14H9BrF2N4S/c15-10-5-4-9(13(17)6-10)8-22-14-18-19-20-21(14)12-3-1-2-11(16)7-12/h1-7H,8H2
InChIKeyRXMYQURAMRDPCR-UHFFFAOYSA-N
MW383.22 g/mol
LogP4.00
Rot. Bonds4

About 5-[(4-bromo-2-fluorophenyl)methylsulfanyl]-1-(3-fluorophenyl)tetrazole

5-[(4-bromo-2-fluorophenyl)methylsulfanyl]-1-(3-fluorophenyl)tetrazole (PubChem CID 7562922) has the molecular formula C14H9BrF2N4S and a molecular weight of 383.22 g/mol. Its IUPAC name is 5-[(4-bromo-2-fluorophenyl)methylsulfanyl]-1-(3-fluorophenyl)tetrazole.

Molecular Properties

Compound Name5-[(4-bromo-2-fluorophenyl)methylsulfanyl]-1-(3-fluorophenyl)tetrazole
PubChem CID7562922
Molecular FormulaC14H9BrF2N4S
Molecular Weight383.22 g/mol
Exact Mass381.97
IUPAC Name5-[(4-bromo-2-fluorophenyl)methylsulfanyl]-1-(3-fluorophenyl)tetrazole
SMILESFc1cccc(-n2nnnc2SCc2ccc(Br)cc2F)c1
InChIInChI=1S/C14H9BrF2N4S/c15-10-5-4-9(13(17)6-10)8-22-14-18-19-20-21(14)12-3-1-2-11(16)7-12/h1-7H,8H2
InChIKeyRXMYQURAMRDPCR-UHFFFAOYSA-N
XLogP4.00
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.22
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-fluorophenyl)-5-(naphthalen-1-ylmethylsulfanyl)tetrazole
CID 7801928
5-[(4-bromo-2-fluorophenyl)methylsulfanyl]-1-(2-methylphenyl)tetrazole
CID 7646433
1-(4-bromophenyl)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylethanone
CID 7562864
4-[5-[(4-bromo-2-fluorophenyl)methylsulfanyl]tetrazol-1-yl]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 112803072
1-(3-fluorophenyl)-5-[(2-phenoxyphenyl)methylsulfanyl]tetrazole
CID 18231138
5-[(4-bromo-2-fluorophenyl)methylsulfanyl]-1-cyclopropyltetrazole
CID 47124353
5-[(2-bromo-4-fluorophenyl)methylsulfanyl]-1-(4-methylphenyl)tetrazole
CID 26240693
4-bromo-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]benzoic acid
CID 91144824
5-[(3-bromophenyl)methylsulfanyl]-1-(4-chlorophenyl)tetrazole
CID 7856912
3-[5-[(2-fluorophenyl)methylsulfanyl]tetrazol-1-yl]pyridine
CID 3164590
2-[1-(3-bromophenyl)tetrazol-5-yl]sulfanylacetic acid
CID 29070233
3-(3-chlorophenyl)-5-[[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylmethyl]-1,2,4-oxadiazole
CID 9399417

Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromo-2-fluorophenyl)methylsulfanyl]-1-(3-fluorophenyl)tetrazole?
The IUPAC name of 5-[(4-bromo-2-fluorophenyl)methylsulfanyl]-1-(3-fluorophenyl)tetrazole (CID 7562922) is 5-[(4-bromo-2-fluorophenyl)methylsulfanyl]-1-(3-fluorophenyl)tetrazole.
What is the SMILES notation for 5-[(4-bromo-2-fluorophenyl)methylsulfanyl]-1-(3-fluorophenyl)tetrazole?
The canonical SMILES for 5-[(4-bromo-2-fluorophenyl)methylsulfanyl]-1-(3-fluorophenyl)tetrazole is Fc1cccc(-n2nnnc2SCc2ccc(Br)cc2F)c1.
What is the InChIKey of 5-[(4-bromo-2-fluorophenyl)methylsulfanyl]-1-(3-fluorophenyl)tetrazole?
The InChIKey is RXMYQURAMRDPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrF2N4S/c15-10-5-4-9(13(17)6-10)8-22-14-18-19-20-21(14)12-3-1-2-11(16)7-12/h1-7H,8H2.
What are the key properties of 5-[(4-bromo-2-fluorophenyl)methylsulfanyl]-1-(3-fluorophenyl)tetrazole?
5-[(4-bromo-2-fluorophenyl)methylsulfanyl]-1-(3-fluorophenyl)tetrazole has a molecular weight of 383.22 g/mol, XLogP of 4.00, 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-(3-fluorophenyl)tetrazole is sourced from PubChem (CID 7562922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).