5-[2-(4-bromophenyl)sulfonylethylsulfanyl]-1-ethyltetrazole

C11H13BrN4O2S2 — CID 24578314

IUPAC5-[2-(4-bromophenyl)sulfonylethylsulfanyl]-1-ethyltetrazole
SMILESCCn1nnnc1SCCS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C11H13BrN4O2S2/c1-2-16-11(13-14-15-16)19-7-8-20(17,18)10-5-3-9(12)4-6-10/h3-6H,2,7-8H2,1H3
InChIKeyUKDXLXKNMWAJKA-UHFFFAOYSA-N
MW377.29 g/mol
LogP2.02
Rot. Bonds6

About 5-[2-(4-bromophenyl)sulfonylethylsulfanyl]-1-ethyltetrazole

5-[2-(4-bromophenyl)sulfonylethylsulfanyl]-1-ethyltetrazole (PubChem CID 24578314) has the molecular formula C11H13BrN4O2S2 and a molecular weight of 377.29 g/mol. Its IUPAC name is 5-[2-(4-bromophenyl)sulfonylethylsulfanyl]-1-ethyltetrazole.

Molecular Properties

Compound Name5-[2-(4-bromophenyl)sulfonylethylsulfanyl]-1-ethyltetrazole
PubChem CID24578314
Molecular FormulaC11H13BrN4O2S2
Molecular Weight377.29 g/mol
Exact Mass375.97
IUPAC Name5-[2-(4-bromophenyl)sulfonylethylsulfanyl]-1-ethyltetrazole
SMILESCCn1nnnc1SCCS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C11H13BrN4O2S2/c1-2-16-11(13-14-15-16)19-7-8-20(17,18)10-5-3-9(12)4-6-10/h3-6H,2,7-8H2,1H3
InChIKeyUKDXLXKNMWAJKA-UHFFFAOYSA-N
XLogP2.02
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.29
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-bromophenyl)sulfonylethylsulfanyl]-1-ethyltetrazole?
The IUPAC name of 5-[2-(4-bromophenyl)sulfonylethylsulfanyl]-1-ethyltetrazole (CID 24578314) is 5-[2-(4-bromophenyl)sulfonylethylsulfanyl]-1-ethyltetrazole.
What is the SMILES notation for 5-[2-(4-bromophenyl)sulfonylethylsulfanyl]-1-ethyltetrazole?
The canonical SMILES for 5-[2-(4-bromophenyl)sulfonylethylsulfanyl]-1-ethyltetrazole is CCn1nnnc1SCCS(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 5-[2-(4-bromophenyl)sulfonylethylsulfanyl]-1-ethyltetrazole?
The InChIKey is UKDXLXKNMWAJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN4O2S2/c1-2-16-11(13-14-15-16)19-7-8-20(17,18)10-5-3-9(12)4-6-10/h3-6H,2,7-8H2,1H3.
What are the key properties of 5-[2-(4-bromophenyl)sulfonylethylsulfanyl]-1-ethyltetrazole?
5-[2-(4-bromophenyl)sulfonylethylsulfanyl]-1-ethyltetrazole has a molecular weight of 377.29 g/mol, XLogP of 2.02, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-bromophenyl)sulfonylethylsulfanyl]-1-ethyltetrazole is sourced from PubChem (CID 24578314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).