1-ethyl-3,5-dimethylpyrazole-4-sulfonyl chloride

C7H11ClN2O2S — CID 17024786

IUPAC1-ethyl-3,5-dimethylpyrazole-4-sulfonyl chloride
SMILESCCn1nc(C)c(S(=O)(=O)Cl)c1C
InChIInChI=1S/C7H11ClN2O2S/c1-4-10-6(3)7(5(2)9-10)13(8,11)12/h4H2,1-3H3
InChIKeyRQCJMZFSOMFEOT-UHFFFAOYSA-N
MW222.70 g/mol
LogP1.45
Rot. Bonds2

About 1-ethyl-3,5-dimethylpyrazole-4-sulfonyl chloride

1-ethyl-3,5-dimethylpyrazole-4-sulfonyl chloride (PubChem CID 17024786) has the molecular formula C7H11ClN2O2S and a molecular weight of 222.70 g/mol. Its IUPAC name is 1-ethyl-3,5-dimethylpyrazole-4-sulfonyl chloride.

Molecular Properties

Compound Name1-ethyl-3,5-dimethylpyrazole-4-sulfonyl chloride
PubChem CID17024786
Molecular FormulaC7H11ClN2O2S
Molecular Weight222.70 g/mol
Exact Mass222.02
IUPAC Name1-ethyl-3,5-dimethylpyrazole-4-sulfonyl chloride
SMILESCCn1nc(C)c(S(=O)(=O)Cl)c1C
InChIInChI=1S/C7H11ClN2O2S/c1-4-10-6(3)7(5(2)9-10)13(8,11)12/h4H2,1-3H3
InChIKeyRQCJMZFSOMFEOT-UHFFFAOYSA-N
XLogP1.45
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.70
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3,5-dimethylpyrazole-4-sulfonyl chloride?
The IUPAC name of 1-ethyl-3,5-dimethylpyrazole-4-sulfonyl chloride (CID 17024786) is 1-ethyl-3,5-dimethylpyrazole-4-sulfonyl chloride.
What is the SMILES notation for 1-ethyl-3,5-dimethylpyrazole-4-sulfonyl chloride?
The canonical SMILES for 1-ethyl-3,5-dimethylpyrazole-4-sulfonyl chloride is CCn1nc(C)c(S(=O)(=O)Cl)c1C.
What is the InChIKey of 1-ethyl-3,5-dimethylpyrazole-4-sulfonyl chloride?
The InChIKey is RQCJMZFSOMFEOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClN2O2S/c1-4-10-6(3)7(5(2)9-10)13(8,11)12/h4H2,1-3H3.
What are the key properties of 1-ethyl-3,5-dimethylpyrazole-4-sulfonyl chloride?
1-ethyl-3,5-dimethylpyrazole-4-sulfonyl chloride has a molecular weight of 222.70 g/mol, XLogP of 1.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3,5-dimethylpyrazole-4-sulfonyl chloride is sourced from PubChem (CID 17024786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).