5-bromo-1-methylpyrazole-4-sulfonyl chloride

C4H4BrClN2O2S — CID 15008915

IUPAC5-bromo-1-methylpyrazole-4-sulfonyl chloride
SMILESCn1ncc(S(=O)(=O)Cl)c1Br
InChIInChI=1S/C4H4BrClN2O2S/c1-8-4(5)3(2-7-8)11(6,9)10/h2H,1H3
InChIKeyWKSFIUAPEQSZEU-UHFFFAOYSA-N
MW259.51 g/mol
LogP1.11
Rot. Bonds1

About 5-bromo-1-methylpyrazole-4-sulfonyl chloride

5-bromo-1-methylpyrazole-4-sulfonyl chloride (PubChem CID 15008915) has the molecular formula C4H4BrClN2O2S and a molecular weight of 259.51 g/mol. Its IUPAC name is 5-bromo-1-methylpyrazole-4-sulfonyl chloride.

Molecular Properties

Compound Name5-bromo-1-methylpyrazole-4-sulfonyl chloride
PubChem CID15008915
Molecular FormulaC4H4BrClN2O2S
Molecular Weight259.51 g/mol
Exact Mass257.89
IUPAC Name5-bromo-1-methylpyrazole-4-sulfonyl chloride
SMILESCn1ncc(S(=O)(=O)Cl)c1Br
InChIInChI=1S/C4H4BrClN2O2S/c1-8-4(5)3(2-7-8)11(6,9)10/h2H,1H3
InChIKeyWKSFIUAPEQSZEU-UHFFFAOYSA-N
XLogP1.11
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.51
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-methylpyrazole-4-sulfonyl chloride?
The IUPAC name of 5-bromo-1-methylpyrazole-4-sulfonyl chloride (CID 15008915) is 5-bromo-1-methylpyrazole-4-sulfonyl chloride.
What is the SMILES notation for 5-bromo-1-methylpyrazole-4-sulfonyl chloride?
The canonical SMILES for 5-bromo-1-methylpyrazole-4-sulfonyl chloride is Cn1ncc(S(=O)(=O)Cl)c1Br.
What is the InChIKey of 5-bromo-1-methylpyrazole-4-sulfonyl chloride?
The InChIKey is WKSFIUAPEQSZEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4BrClN2O2S/c1-8-4(5)3(2-7-8)11(6,9)10/h2H,1H3.
What are the key properties of 5-bromo-1-methylpyrazole-4-sulfonyl chloride?
5-bromo-1-methylpyrazole-4-sulfonyl chloride has a molecular weight of 259.51 g/mol, XLogP of 1.11, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-methylpyrazole-4-sulfonyl chloride is sourced from PubChem (CID 15008915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).