1,3,5-trimethylpyrazole-4-sulfonyl chloride

C6H9ClN2O2S — CID 2737340

IUPAC1,3,5-trimethylpyrazole-4-sulfonyl chloride
SMILESCc1nn(C)c(C)c1S(=O)(=O)Cl
InChIInChI=1S/C6H9ClN2O2S/c1-4-6(12(7,10)11)5(2)9(3)8-4/h1-3H3
InChIKeyQLSAMUCENQZGHN-UHFFFAOYSA-N
MW208.67 g/mol
LogP0.96
Rot. Bonds1

About 1,3,5-trimethylpyrazole-4-sulfonyl chloride

1,3,5-trimethylpyrazole-4-sulfonyl chloride (PubChem CID 2737340) has the molecular formula C6H9ClN2O2S and a molecular weight of 208.67 g/mol. Its IUPAC name is 1,3,5-trimethylpyrazole-4-sulfonyl chloride.

Molecular Properties

Compound Name1,3,5-trimethylpyrazole-4-sulfonyl chloride
PubChem CID2737340
Molecular FormulaC6H9ClN2O2S
Molecular Weight208.67 g/mol
Exact Mass208.01
IUPAC Name1,3,5-trimethylpyrazole-4-sulfonyl chloride
SMILESCc1nn(C)c(C)c1S(=O)(=O)Cl
InChIInChI=1S/C6H9ClN2O2S/c1-4-6(12(7,10)11)5(2)9(3)8-4/h1-3H3
InChIKeyQLSAMUCENQZGHN-UHFFFAOYSA-N
XLogP0.96
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.67
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethylpyrazole-4-sulfonyl chloride?
The IUPAC name of 1,3,5-trimethylpyrazole-4-sulfonyl chloride (CID 2737340) is 1,3,5-trimethylpyrazole-4-sulfonyl chloride.
What is the SMILES notation for 1,3,5-trimethylpyrazole-4-sulfonyl chloride?
The canonical SMILES for 1,3,5-trimethylpyrazole-4-sulfonyl chloride is Cc1nn(C)c(C)c1S(=O)(=O)Cl.
What is the InChIKey of 1,3,5-trimethylpyrazole-4-sulfonyl chloride?
The InChIKey is QLSAMUCENQZGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClN2O2S/c1-4-6(12(7,10)11)5(2)9(3)8-4/h1-3H3.
What are the key properties of 1,3,5-trimethylpyrazole-4-sulfonyl chloride?
1,3,5-trimethylpyrazole-4-sulfonyl chloride has a molecular weight of 208.67 g/mol, XLogP of 0.96, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethylpyrazole-4-sulfonyl chloride is sourced from PubChem (CID 2737340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).