2-[2-(4-bromophenyl)sulfonylethyl]-5-(3-methoxyphenyl)tetrazole

C16H15BrN4O3S — CID 60592949

IUPAC2-[2-(4-bromophenyl)sulfonylethyl]-5-(3-methoxyphenyl)tetrazole
SMILESCOc1cccc(-c2nnn(CCS(=O)(=O)c3ccc(Br)cc3)n2)c1
InChIInChI=1S/C16H15BrN4O3S/c1-24-14-4-2-3-12(11-14)16-18-20-21(19-16)9-10-25(22,23)15-7-5-13(17)6-8-15/h2-8,11H,9-10H2,1H3
InChIKeyQQZOMUZJNMNHBL-UHFFFAOYSA-N
MW423.29 g/mol
LogP2.59
Rot. Bonds6

About 2-[2-(4-bromophenyl)sulfonylethyl]-5-(3-methoxyphenyl)tetrazole

2-[2-(4-bromophenyl)sulfonylethyl]-5-(3-methoxyphenyl)tetrazole (PubChem CID 60592949) has the molecular formula C16H15BrN4O3S and a molecular weight of 423.29 g/mol. Its IUPAC name is 2-[2-(4-bromophenyl)sulfonylethyl]-5-(3-methoxyphenyl)tetrazole.

Molecular Properties

Compound Name2-[2-(4-bromophenyl)sulfonylethyl]-5-(3-methoxyphenyl)tetrazole
PubChem CID60592949
Molecular FormulaC16H15BrN4O3S
Molecular Weight423.29 g/mol
Exact Mass422.00
IUPAC Name2-[2-(4-bromophenyl)sulfonylethyl]-5-(3-methoxyphenyl)tetrazole
SMILESCOc1cccc(-c2nnn(CCS(=O)(=O)c3ccc(Br)cc3)n2)c1
InChIInChI=1S/C16H15BrN4O3S/c1-24-14-4-2-3-12(11-14)16-18-20-21(19-16)9-10-25(22,23)15-7-5-13(17)6-8-15/h2-8,11H,9-10H2,1H3
InChIKeyQQZOMUZJNMNHBL-UHFFFAOYSA-N
XLogP2.59
TPSA86.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.29
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[2-(4-bromophenyl)sulfonylethyl]-5-(3-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

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromophenyl)sulfonylethyl]-5-(3-methoxyphenyl)tetrazole?
The IUPAC name of 2-[2-(4-bromophenyl)sulfonylethyl]-5-(3-methoxyphenyl)tetrazole (CID 60592949) is 2-[2-(4-bromophenyl)sulfonylethyl]-5-(3-methoxyphenyl)tetrazole.
What is the SMILES notation for 2-[2-(4-bromophenyl)sulfonylethyl]-5-(3-methoxyphenyl)tetrazole?
The canonical SMILES for 2-[2-(4-bromophenyl)sulfonylethyl]-5-(3-methoxyphenyl)tetrazole is COc1cccc(-c2nnn(CCS(=O)(=O)c3ccc(Br)cc3)n2)c1.
What is the InChIKey of 2-[2-(4-bromophenyl)sulfonylethyl]-5-(3-methoxyphenyl)tetrazole?
The InChIKey is QQZOMUZJNMNHBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN4O3S/c1-24-14-4-2-3-12(11-14)16-18-20-21(19-16)9-10-25(22,23)15-7-5-13(17)6-8-15/h2-8,11H,9-10H2,1H3.
What are the key properties of 2-[2-(4-bromophenyl)sulfonylethyl]-5-(3-methoxyphenyl)tetrazole?
2-[2-(4-bromophenyl)sulfonylethyl]-5-(3-methoxyphenyl)tetrazole has a molecular weight of 423.29 g/mol, XLogP of 2.59, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromophenyl)sulfonylethyl]-5-(3-methoxyphenyl)tetrazole is sourced from PubChem (CID 60592949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).