5-[2-(3-bromophenoxy)ethylsulfanyl]-1-(4-methoxyphenyl)tetrazole

C16H15BrN4O2S — CID 2659155

IUPAC5-[2-(3-bromophenoxy)ethylsulfanyl]-1-(4-methoxyphenyl)tetrazole
SMILESCOc1ccc(-n2nnnc2SCCOc2cccc(Br)c2)cc1
InChIInChI=1S/C16H15BrN4O2S/c1-22-14-7-5-13(6-8-14)21-16(18-19-20-21)24-10-9-23-15-4-2-3-12(17)11-15/h2-8,11H,9-10H2,1H3
InChIKeyJONSFKSINWDHLU-UHFFFAOYSA-N
MW407.29 g/mol
LogP3.60
Rot. Bonds7

About 5-[2-(3-bromophenoxy)ethylsulfanyl]-1-(4-methoxyphenyl)tetrazole

5-[2-(3-bromophenoxy)ethylsulfanyl]-1-(4-methoxyphenyl)tetrazole (PubChem CID 2659155) has the molecular formula C16H15BrN4O2S and a molecular weight of 407.29 g/mol. Its IUPAC name is 5-[2-(3-bromophenoxy)ethylsulfanyl]-1-(4-methoxyphenyl)tetrazole.

Molecular Properties

Compound Name5-[2-(3-bromophenoxy)ethylsulfanyl]-1-(4-methoxyphenyl)tetrazole
PubChem CID2659155
Molecular FormulaC16H15BrN4O2S
Molecular Weight407.29 g/mol
Exact Mass406.01
IUPAC Name5-[2-(3-bromophenoxy)ethylsulfanyl]-1-(4-methoxyphenyl)tetrazole
SMILESCOc1ccc(-n2nnnc2SCCOc2cccc(Br)c2)cc1
InChIInChI=1S/C16H15BrN4O2S/c1-22-14-7-5-13(6-8-14)21-16(18-19-20-21)24-10-9-23-15-4-2-3-12(17)11-15/h2-8,11H,9-10H2,1H3
InChIKeyJONSFKSINWDHLU-UHFFFAOYSA-N
XLogP3.60
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.29
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-[2-(3-bromophenoxy)ethylsulfanyl]-1-(4-methoxyphenyl)tetrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[2-(4-bromophenoxy)ethylsulfanyl]-1-(4-methoxyphenyl)tetrazole
CID 2691118
5-[2-(3-fluorophenoxy)ethylsulfanyl]-1-(4-methoxyphenyl)tetrazole
CID 39530113
1-(4-methoxyphenyl)-5-(2-phenylethylsulfanyl)tetrazole
CID 112780708
3-[2-(3-bromophenoxy)ethylsulfanyl]-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-4-amine
CID 24670947
(2S)-1-(3-bromophenoxy)-3-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylpropan-2-ol
CID 26009335
1-bromo-3-[2-(4-methoxyphenoxy)ethoxy]benzene
CID 55327692
2-[2-(3-bromophenoxy)ethylsulfanyl]-3-(3-methoxyphenyl)quinazolin-4-one
CID 3880310
5-[2-(3-bromophenoxy)ethylsulfanyl]-1-methyl-1,2,4-triazole
CID 104588095
3-[2-(3-bromophenoxy)ethylsulfanyl]-5-(4-methoxyphenyl)-1H-1,2,4-triazole
CID 7896449
1-(2,6-dimethylphenyl)-5-[2-(3-ethylphenoxy)ethylsulfanyl]tetrazole
CID 112771287
3-[2-(3-bromophenoxy)ethylsulfanyl]-4-methyl-5-(4-methylphenyl)-1,2,4-triazole
CID 16518603
3-[2-(3-bromophenoxy)ethylsulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine
CID 78761364

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-bromophenoxy)ethylsulfanyl]-1-(4-methoxyphenyl)tetrazole?
The IUPAC name of 5-[2-(3-bromophenoxy)ethylsulfanyl]-1-(4-methoxyphenyl)tetrazole (CID 2659155) is 5-[2-(3-bromophenoxy)ethylsulfanyl]-1-(4-methoxyphenyl)tetrazole.
What is the SMILES notation for 5-[2-(3-bromophenoxy)ethylsulfanyl]-1-(4-methoxyphenyl)tetrazole?
The canonical SMILES for 5-[2-(3-bromophenoxy)ethylsulfanyl]-1-(4-methoxyphenyl)tetrazole is COc1ccc(-n2nnnc2SCCOc2cccc(Br)c2)cc1.
What is the InChIKey of 5-[2-(3-bromophenoxy)ethylsulfanyl]-1-(4-methoxyphenyl)tetrazole?
The InChIKey is JONSFKSINWDHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN4O2S/c1-22-14-7-5-13(6-8-14)21-16(18-19-20-21)24-10-9-23-15-4-2-3-12(17)11-15/h2-8,11H,9-10H2,1H3.
What are the key properties of 5-[2-(3-bromophenoxy)ethylsulfanyl]-1-(4-methoxyphenyl)tetrazole?
5-[2-(3-bromophenoxy)ethylsulfanyl]-1-(4-methoxyphenyl)tetrazole has a molecular weight of 407.29 g/mol, XLogP of 3.60, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-bromophenoxy)ethylsulfanyl]-1-(4-methoxyphenyl)tetrazole is sourced from PubChem (CID 2659155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).