5-bromo-2-methyltriazole-4-sulfonyl chloride

C3H3BrClN3O2S — CID 155819637

IUPAC5-bromo-2-methyltriazole-4-sulfonyl chloride
SMILESCn1nc(Br)c(S(=O)(=O)Cl)n1
InChIInChI=1S/C3H3BrClN3O2S/c1-8-6-2(4)3(7-8)11(5,9)10/h1H3
InChIKeyJYOPEGAYIAWUCO-UHFFFAOYSA-N
MW260.50 g/mol
LogP0.51
Rot. Bonds1

About 5-bromo-2-methyltriazole-4-sulfonyl chloride

5-bromo-2-methyltriazole-4-sulfonyl chloride (PubChem CID 155819637) has the molecular formula C3H3BrClN3O2S and a molecular weight of 260.50 g/mol. Its IUPAC name is 5-bromo-2-methyltriazole-4-sulfonyl chloride.

Molecular Properties

Compound Name5-bromo-2-methyltriazole-4-sulfonyl chloride
PubChem CID155819637
Molecular FormulaC3H3BrClN3O2S
Molecular Weight260.50 g/mol
Exact Mass258.88
IUPAC Name5-bromo-2-methyltriazole-4-sulfonyl chloride
SMILESCn1nc(Br)c(S(=O)(=O)Cl)n1
InChIInChI=1S/C3H3BrClN3O2S/c1-8-6-2(4)3(7-8)11(5,9)10/h1H3
InChIKeyJYOPEGAYIAWUCO-UHFFFAOYSA-N
XLogP0.51
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.50
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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5-chloro-1,2-dimethylimidazole-4-sulfonyl chloride
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2,5-dichloro-1-methylimidazole-4-sulfonyl chloride
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4-bromo-5-ethyl-2-methyltriazole
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4-bromo-5-(bromomethyl)-2-methyltriazole
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4-fluoro-1-methylindazole-3-sulfonyl chloride
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(5-bromo-2-methyltriazol-4-yl)methanol
CID 129116608
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CID 164903023
5-bromo-1-methylpyrrole-2-sulfonyl chloride
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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyltriazole-4-sulfonyl chloride?
The IUPAC name of 5-bromo-2-methyltriazole-4-sulfonyl chloride (CID 155819637) is 5-bromo-2-methyltriazole-4-sulfonyl chloride.
What is the SMILES notation for 5-bromo-2-methyltriazole-4-sulfonyl chloride?
The canonical SMILES for 5-bromo-2-methyltriazole-4-sulfonyl chloride is Cn1nc(Br)c(S(=O)(=O)Cl)n1.
What is the InChIKey of 5-bromo-2-methyltriazole-4-sulfonyl chloride?
The InChIKey is JYOPEGAYIAWUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3BrClN3O2S/c1-8-6-2(4)3(7-8)11(5,9)10/h1H3.
What are the key properties of 5-bromo-2-methyltriazole-4-sulfonyl chloride?
5-bromo-2-methyltriazole-4-sulfonyl chloride has a molecular weight of 260.50 g/mol, XLogP of 0.51, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methyltriazole-4-sulfonyl chloride is sourced from PubChem (CID 155819637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).