5-(4-bromophenyl)sulfonyl-4-pyridin-2-ylthiadiazole

C13H8BrN3O2S2 — CID 11646628

IUPAC5-(4-bromophenyl)sulfonyl-4-pyridin-2-ylthiadiazole
SMILESO=S(=O)(c1ccc(Br)cc1)c1snnc1-c1ccccn1
InChIInChI=1S/C13H8BrN3O2S2/c14-9-4-6-10(7-5-9)21(18,19)13-12(16-17-20-13)11-3-1-2-8-15-11/h1-8H
InChIKeyZXWHONBMLDGBJW-UHFFFAOYSA-N
MW382.26 g/mol
LogP3.20
Rot. Bonds3

About 5-(4-bromophenyl)sulfonyl-4-pyridin-2-ylthiadiazole

5-(4-bromophenyl)sulfonyl-4-pyridin-2-ylthiadiazole (PubChem CID 11646628) has the molecular formula C13H8BrN3O2S2 and a molecular weight of 382.26 g/mol. Its IUPAC name is 5-(4-bromophenyl)sulfonyl-4-pyridin-2-ylthiadiazole.

Molecular Properties

Compound Name5-(4-bromophenyl)sulfonyl-4-pyridin-2-ylthiadiazole
PubChem CID11646628
Molecular FormulaC13H8BrN3O2S2
Molecular Weight382.26 g/mol
Exact Mass380.92
IUPAC Name5-(4-bromophenyl)sulfonyl-4-pyridin-2-ylthiadiazole
SMILESO=S(=O)(c1ccc(Br)cc1)c1snnc1-c1ccccn1
InChIInChI=1S/C13H8BrN3O2S2/c14-9-4-6-10(7-5-9)21(18,19)13-12(16-17-20-13)11-3-1-2-8-15-11/h1-8H
InChIKeyZXWHONBMLDGBJW-UHFFFAOYSA-N
XLogP3.20
TPSA72.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.26
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)sulfonyl-4-pyridin-2-ylthiadiazole?
The IUPAC name of 5-(4-bromophenyl)sulfonyl-4-pyridin-2-ylthiadiazole (CID 11646628) is 5-(4-bromophenyl)sulfonyl-4-pyridin-2-ylthiadiazole.
What is the SMILES notation for 5-(4-bromophenyl)sulfonyl-4-pyridin-2-ylthiadiazole?
The canonical SMILES for 5-(4-bromophenyl)sulfonyl-4-pyridin-2-ylthiadiazole is O=S(=O)(c1ccc(Br)cc1)c1snnc1-c1ccccn1.
What is the InChIKey of 5-(4-bromophenyl)sulfonyl-4-pyridin-2-ylthiadiazole?
The InChIKey is ZXWHONBMLDGBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrN3O2S2/c14-9-4-6-10(7-5-9)21(18,19)13-12(16-17-20-13)11-3-1-2-8-15-11/h1-8H.
What are the key properties of 5-(4-bromophenyl)sulfonyl-4-pyridin-2-ylthiadiazole?
5-(4-bromophenyl)sulfonyl-4-pyridin-2-ylthiadiazole has a molecular weight of 382.26 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)sulfonyl-4-pyridin-2-ylthiadiazole is sourced from PubChem (CID 11646628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).