5-bromothiadiazole-4-sulfonyl chloride

C2BrClN2O2S2 — CID 84711097

IUPAC5-bromothiadiazole-4-sulfonyl chloride
SMILESO=S(=O)(Cl)c1nnsc1Br
InChIInChI=1S/C2BrClN2O2S2/c3-1-2(5-6-9-1)10(4,7)8
InChIKeyCLVILLLCYGBURW-UHFFFAOYSA-N
MW263.53 g/mol
LogP1.23
Rot. Bonds1

About 5-bromothiadiazole-4-sulfonyl chloride

5-bromothiadiazole-4-sulfonyl chloride (PubChem CID 84711097) has the molecular formula C2BrClN2O2S2 and a molecular weight of 263.53 g/mol. Its IUPAC name is 5-bromothiadiazole-4-sulfonyl chloride.

Molecular Properties

Compound Name5-bromothiadiazole-4-sulfonyl chloride
PubChem CID84711097
Molecular FormulaC2BrClN2O2S2
Molecular Weight263.53 g/mol
Exact Mass261.83
IUPAC Name5-bromothiadiazole-4-sulfonyl chloride
SMILESO=S(=O)(Cl)c1nnsc1Br
InChIInChI=1S/C2BrClN2O2S2/c3-1-2(5-6-9-1)10(4,7)8
InChIKeyCLVILLLCYGBURW-UHFFFAOYSA-N
XLogP1.23
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.53
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromothiadiazole-4-sulfonyl chloride?
The IUPAC name of 5-bromothiadiazole-4-sulfonyl chloride (CID 84711097) is 5-bromothiadiazole-4-sulfonyl chloride.
What is the SMILES notation for 5-bromothiadiazole-4-sulfonyl chloride?
The canonical SMILES for 5-bromothiadiazole-4-sulfonyl chloride is O=S(=O)(Cl)c1nnsc1Br.
What is the InChIKey of 5-bromothiadiazole-4-sulfonyl chloride?
The InChIKey is CLVILLLCYGBURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C2BrClN2O2S2/c3-1-2(5-6-9-1)10(4,7)8.
What are the key properties of 5-bromothiadiazole-4-sulfonyl chloride?
5-bromothiadiazole-4-sulfonyl chloride has a molecular weight of 263.53 g/mol, XLogP of 1.23, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromothiadiazole-4-sulfonyl chloride is sourced from PubChem (CID 84711097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).