4-chloro-1-methylpyrazole-5-sulfonyl chloride

C4H4Cl2N2O2S — CID 50896671

IUPAC4-chloro-1-methylpyrazole-5-sulfonyl chloride
SMILESCn1ncc(Cl)c1S(=O)(=O)Cl
InChIInChI=1S/C4H4Cl2N2O2S/c1-8-4(11(6,9)10)3(5)2-7-8/h2H,1H3
InChIKeyQAISCMHOYPFPLT-UHFFFAOYSA-N
MW215.06 g/mol
LogP1.00
Rot. Bonds1

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

4-chloro-1-methylpyrazole-5-sulfonyl chloride (PubChem CID 50896671) has the molecular formula C4H4Cl2N2O2S and a molecular weight of 215.06 g/mol. Its IUPAC name is 4-chloro-1-methylpyrazole-5-sulfonyl chloride.

Molecular Properties

Compound Name4-chloro-1-methylpyrazole-5-sulfonyl chloride
PubChem CID50896671
Molecular FormulaC4H4Cl2N2O2S
Molecular Weight215.06 g/mol
Exact Mass213.94
IUPAC Name4-chloro-1-methylpyrazole-5-sulfonyl chloride
SMILESCn1ncc(Cl)c1S(=O)(=O)Cl
InChIInChI=1S/C4H4Cl2N2O2S/c1-8-4(11(6,9)10)3(5)2-7-8/h2H,1H3
InChIKeyQAISCMHOYPFPLT-UHFFFAOYSA-N
XLogP1.00
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.06
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methylpyrazole-5-sulfonyl chloride?
The IUPAC name of 4-chloro-1-methylpyrazole-5-sulfonyl chloride (CID 50896671) is 4-chloro-1-methylpyrazole-5-sulfonyl chloride.
What is the SMILES notation for 4-chloro-1-methylpyrazole-5-sulfonyl chloride?
The canonical SMILES for 4-chloro-1-methylpyrazole-5-sulfonyl chloride is Cn1ncc(Cl)c1S(=O)(=O)Cl.
What is the InChIKey of 4-chloro-1-methylpyrazole-5-sulfonyl chloride?
The InChIKey is QAISCMHOYPFPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4Cl2N2O2S/c1-8-4(11(6,9)10)3(5)2-7-8/h2H,1H3.
What are the key properties of 4-chloro-1-methylpyrazole-5-sulfonyl chloride?
4-chloro-1-methylpyrazole-5-sulfonyl chloride has a molecular weight of 215.06 g/mol, XLogP of 1.00, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methylpyrazole-5-sulfonyl chloride is sourced from PubChem (CID 50896671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).